data_2lb5_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 2lb5 _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 tt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.838 0.352 . . . . 1.0 110.533 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 33' ' ' GLN . 33.1 p-10 -57.48 -38.75 75.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.525 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.486 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 96.2 mt-30 -70.47 -53.18 17.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.494 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.484 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.7 mp -50.62 -49.2 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.629 -178.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.482 ' O ' ' OG1' ' A' ' 38' ' ' THR . 89.7 mt -58.19 -31.27 67.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.597 -177.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.451 ' O ' HG12 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -51.75 -39.05 57.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.6 179.516 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.29 -24.21 37.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.619 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 42.2 p -72.86 -46.26 53.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.618 178.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 51' ' ' VAL . 3.8 p -52.62 -40.41 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.706 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.48 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 10.6 pt-20 -79.32 -34.19 42.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.622 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -62.51 -53.67 51.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.541 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.7 t -61.02 -44.51 98.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.488 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.5 ttm180 -46.76 -41.75 15.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.474 179.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.23 -40.62 94.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.531 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -72.94 -52.45 14.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.546 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.583 ' O ' ' N ' ' A' ' 48' ' ' THR . 20.3 mt -78.75 -0.65 31.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.505 179.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.4 20.62 0.03 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.929 -0.869 . . . . 1.0 110.929 178.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.583 ' N ' ' O ' ' A' ' 46' ' ' LEU . 2.6 m -73.93 138.43 44.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.361 . . . . 1.0 110.57 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.575 ' O ' ' N ' ' A' ' 70' ' ' GLY . 2.7 p-10 -64.34 -32.24 73.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.6 -176.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.633 HH12 ' HZ3' ' A' ' 52' ' ' LYS . 66.2 ttp85 -138.53 123.7 19.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.967 0.413 . . . . 1.0 111.013 -176.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.491 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 3.1 t -143.91 133.71 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.876 -0.602 . . . . 1.0 109.855 176.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.633 ' HZ3' HH12 ' A' ' 50' ' ' ARG . 23.8 pttm -141.55 155.12 45.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.975 0.417 . . . . 1.0 111.261 -178.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 79.4 t -103.8 139.06 25.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.75 -0.659 . . . . 1.0 109.891 178.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -122.75 118.89 29.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.934 0.397 . . . . 1.0 111.172 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -95.42 163.29 13.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.971 -0.559 . . . . 1.0 109.959 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.526 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 89.6 t80 -129.56 147.25 51.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.978 0.418 . . . . 1.0 110.842 -177.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.536 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -117.61 148.85 43.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.355 179.522 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.73 -27.52 85.13 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.744 2.296 . . . . 1.0 112.051 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -74.57 -8.38 56.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.43 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.08 21.94 21.55 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.79 -0.924 . . . . 1.0 110.79 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 75.5 m80 -116.26 138.88 50.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.877 0.37 . . . . 1.0 110.736 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -129.39 149.85 18.75 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.629 -0.989 . . . . 1.0 110.629 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.4 p -132.91 153.9 50.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 1.0 110.738 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.8 t -95.95 113.97 31.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.167 176.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.2 m -100.95 2.79 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.849 -177.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -163.16 150.38 12.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.908 0.385 . . . . 1.0 110.911 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 87.9 tt0 -168.18 128.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.269 -179.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.48 ' O ' ' HA ' ' A' ' 50' ' ' ARG . . . -119.62 152.3 37.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.841 177.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 75.3 mtm180 -133.85 141.59 47.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.467 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -92.9 -103.23 1.56 Allowed Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.801 -0.92 . . . . 1.0 110.801 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.93 16.36 1.54 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.79 -0.924 . . . . 1.0 110.79 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.536 ' H ' ' C ' ' A' ' 70' ' ' GLY . 47.3 mp0 50.88 53.93 12.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.782 0.325 . . . . 1.0 110.562 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.643 ' NH1' ' N ' ' A' ' 171' ' ' ALA . 8.3 ptm180 -85.75 -15.27 42.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.532 177.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.3 mt -132.33 152.79 80.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.484 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -72.5 169.15 22.47 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.807 2.338 . . . . 1.0 112.114 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.3 p -84.35 117.52 23.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.648 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.442 ' H ' ' CD ' ' A' ' 67' ' ' GLU . 54.0 mt -92.33 -12.98 30.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.434 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.53 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 12.9 tp -47.45 138.14 7.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.513 -178.145 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.98 -0.64 73.04 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 87.6 mt -98.29 132.37 43.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.768 0.318 . . . . 1.0 110.54 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.3 m -94.71 123.26 38.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.571 177.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -92.98 138.03 23.51 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.55 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.405 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 73.5 Cg_endo -76.75 140.64 21.02 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.873 2.382 . . . . 1.0 112.144 179.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.29 -34.62 72.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.68 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.33 -24.81 3.88 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' A' ' 87' ' ' ILE . 54.3 p30 -53.9 -24.0 14.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 1.0 110.613 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.546 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 27.6 mt -141.99 131.75 12.49 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.552 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.07 -93.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.836 2.357 . . . . 1.0 112.173 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 19.7 pt-20 -166.69 -48.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.552 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.432 ' N ' ' CG ' ' A' ' 89' ' ' GLU . 18.8 pt-20 -47.35 -39.28 14.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.578 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.23 -43.34 78.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.599 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.441 ' O ' ' HB2' ' A' ' 95' ' ' PHE . 75.7 ttt-85 -63.08 -27.25 69.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.608 -178.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -55.09 -47.45 74.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.511 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.622 ' O ' ' N ' ' A' ' 98' ' ' ALA . 7.0 mp -53.87 -37.02 63.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.523 179.258 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.642 ' HD1' ' H ' ' A' ' 95' ' ' PHE . 2.2 m-85 -61.06 -19.73 61.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.74 178.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 46.9 mtp85 -94.57 -33.26 13.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.739 -178.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.455 ' CD1' ' N ' ' A' ' 97' ' ' LEU . 10.3 mp -106.4 -39.83 5.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.258 -177.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.622 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -81.29 -33.01 32.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.417 -176.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.595 ' NE2' ' SD ' ' A' ' 157' ' ' MET . 33.0 mm-40 31.73 57.27 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.31 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.506 ' O ' ' O ' ' A' ' 101' ' ' ARG . 8.6 p -146.24 -49.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.807 177.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.641 ' NE ' ' CZ ' ' A' ' 95' ' ' PHE . 16.7 mmm180 45.82 98.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.275 174.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 10.5 p -142.32 129.41 19.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.596 177.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 12.4 mt -110.57 130.92 63.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.714 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.514 ' CG1' ' H ' ' A' ' 105' ' ' ASP . 47.5 t -85.33 171.53 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.344 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.514 ' H ' ' CG1' ' A' ' 104' ' ' VAL . 30.6 t0 -49.02 118.92 2.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.49 -178.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.8 m -56.5 -8.83 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.604 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.438 ' H ' ' C ' ' A' ' 105' ' ' ASP . 13.8 pt-20 -76.52 -33.25 58.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.57 -13.78 10.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.311 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 49.48 62.93 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.719 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.7 p -85.66 139.47 31.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.325 175.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 76.4 mtp85 -122.53 129.68 52.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.85 -177.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.25 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . 0.403 ' NE2' ' CG2' ' A' ' 104' ' ' VAL . 6.0 mm100 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.776 0.322 . . . . 1.0 110.473 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -123.36 82.16 52.72 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.619 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -51.22 142.87 34.94 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.738 2.292 . . . . 1.0 112.032 178.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.412 ' HB ' ' CD2' ' A' ' 139' ' ' HIS . 8.4 t -129.36 137.66 56.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.511 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -45.01 158.7 0.28 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.47 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.29 -10.67 1.38 Allowed 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.794 2.329 . . . . 1.0 111.939 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.29 -43.21 82.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.373 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.607 ' CD2' ' N ' ' A' ' 140' ' ' VAL . 0.1 OUTLIER -82.23 -27.86 32.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.234 -178.096 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.607 ' N ' ' CD2' ' A' ' 139' ' ' HIS . 9.8 t -48.31 -64.87 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.551 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 145' ' ' SER . 84.2 t60 -62.97 -40.93 99.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.462 178.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -49.65 -58.61 4.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.486 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 10.3 mp -63.1 -54.5 36.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.373 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 147' ' ' GLY . 0.5 OUTLIER -53.44 -41.41 66.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.473 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 141' ' ' HIS . 40.0 t -54.76 -28.49 49.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.41 178.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 40.5 mtt -88.22 -2.83 58.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.469 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . 0.547 ' O ' ' NH2' ' A' ' 73' ' ' ARG . . . 70.22 23.4 77.32 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.881 -0.888 . . . . 1.0 110.881 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.504 ' O ' ' CG2' ' A' ' 148' ' ' VAL . 9.0 m -107.82 114.28 45.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.789 0.328 . . . . 1.0 110.654 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -77.02 -31.97 56.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.269 -178.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 95.9 p -109.48 152.21 25.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.903 -0.589 . . . . 1.0 110.101 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 4.2 t -149.93 104.71 3.32 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.719 -0.392 . . . . 1.0 111.082 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 62.6 tp -100.84 116.36 32.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.009 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.475 ' CG2' ' N ' ' A' ' 154' ' ' VAL . 1.3 p -118.17 155.09 20.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.051 0.453 . . . . 1.0 111.183 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.475 ' N ' ' CG2' ' A' ' 153' ' ' VAL . 1.4 t -151.81 121.78 3.54 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.677 -0.692 . . . . 1.0 109.912 -177.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -79.8 144.6 17.38 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.924 2.416 . . . . 1.0 112.706 -176.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 46.3 mt -115.66 95.43 5.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.218 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.595 ' SD ' ' NE2' ' A' ' 99' ' ' GLN . 18.5 ptm -113.65 136.54 52.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.8 -178.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . 0.583 ' ND1' ' CD2' ' A' ' 159' ' ' HIS . 4.8 t-80 -115.7 124.05 49.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.389 177.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.583 ' CD2' ' ND1' ' A' ' 158' ' ' HIS . 68.7 m-70 67.51 -109.61 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.329 -177.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -121.72 4.43 10.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.422 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -117.02 161.18 19.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.575 -177.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 9.0 tp -105.36 123.21 47.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.469 177.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -102.61 -43.64 5.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.882 -176.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -142.85 176.99 22.15 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.258 -0.737 . . . . 1.0 111.258 -177.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.8 tp -145.45 129.34 17.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.687 0.279 . . . . 1.0 110.425 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 38.6 tp -101.0 140.86 34.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.621 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 8.6 p -147.49 148.65 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.793 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.18 144.42 44.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.381 179.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' HIS . . . . . 0.467 ' O ' ' OD1' ' A' ' 49' ' ' ASP . 95.7 m-70 -143.34 142.4 31.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.786 178.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . 0.71 ' CD2' ' H ' ' A' ' 171' ' ' ALA . 17.6 t-80 -172.48 167.82 5.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.475 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.71 ' H ' ' CD2' ' A' ' 170' ' ' HIS . . . -61.95 179.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.63 177.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -46.99 97.84 0.16 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.591 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . 0.48 ' HD3' ' O ' ' A' ' 171' ' ' ALA . 91.6 Cg_endo -97.27 32.89 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.87 2.38 . . . . 1.0 112.09 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 173' ' ' PRO . 71.6 mtt180 57.44 155.78 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.578 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -53.73 160.53 5.46 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.809 2.34 . . . . 1.0 112.056 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -114.13 139.5 49.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.634 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 23.0 t -89.67 142.07 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.601 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -63.72 -37.09 86.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.558 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -59.99 -49.7 76.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.448 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.06 -32.54 72.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.418 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 26.9 tp -57.89 -42.33 84.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.396 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -58.58 -52.57 65.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.364 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 59.7 t -42.25 -45.63 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.158 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 91.0 t -74.88 -36.96 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.092 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -47.72 -40.52 20.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.062 178.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 11.2 mp -73.2 -34.78 66.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.035 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 23.6 tp -57.19 -32.78 66.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.065 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . 0.425 ' O ' ' CG2' ' A' ' 191' ' ' VAL . . . -74.54 -28.18 60.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.105 178.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . 0.473 ' O ' ' OG ' ' A' ' 192' ' ' SER . 74.9 m-20 -71.64 -41.2 69.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.149 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -54.22 -58.0 9.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.153 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' A' ' 188' ' ' ALA . 14.0 m -52.73 -42.04 40.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.099 179.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 192' ' ' SER . . . . . 0.473 ' OG ' ' O ' ' A' ' 189' ' ' ASP . 3.1 p -47.14 -29.45 2.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.053 -0.522 . . . . 1.0 110.108 178.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 12.6 mm -79.5 -38.8 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.159 178.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.37 -47.92 71.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.255 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 8.8 pt -65.51 -36.53 77.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.346 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . 0.442 ' HB3' ' CD2' ' A' ' 158' ' ' HIS . . . -68.44 -51.97 37.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.31 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -61.38 -24.08 66.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.377 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -74.21 -36.51 63.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.397 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -56.74 -40.6 76.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.413 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 10.5 tp -61.83 -59.77 4.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.513 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 20.8 t -61.42 -47.04 87.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.511 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.402 ' CD2' ' C ' ' A' ' 202' ' ' LEU . 2.7 tt . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.035 -0.983 . . . . 1.0 110.558 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.709 0.29 . . . . 1.0 110.538 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.1 p-10 -59.26 -34.27 72.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.615 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -76.57 -54.81 6.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.542 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.504 HG22 HD12 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -61.01 -31.31 49.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.575 -178.824 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.615 ' O ' HG23 ' A' ' 38' ' ' THR . 86.5 mt -78.2 -20.71 51.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.661 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 52.2 ttm-85 -70.96 -31.58 68.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.637 178.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.8 -27.3 26.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.618 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.615 HG23 ' O ' ' A' ' 35' ' ' LEU . 2.5 t -77.94 -42.52 32.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.642 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.521 ' N ' ' CG2' ' A' ' 38' ' ' THR . 11.5 p -57.77 -39.76 72.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.661 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.42 ' N ' HG11 ' A' ' 39' ' ' VAL . 25.6 pt-20 -77.27 -33.17 55.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.612 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.47 -44.74 90.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.512 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.5 t -63.82 -48.69 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.476 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.576 ' O ' ' N ' ' A' ' 47' ' ' GLY . 41.6 ttp180 -47.46 -41.35 20.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.481 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.09 -37.78 83.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.516 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -75.66 -51.22 13.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.547 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.537 ' CD1' ' N ' ' A' ' 46' ' ' LEU . 8.3 mp -80.23 -2.9 46.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.508 179.247 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 41.92 21.37 0.07 OUTLIER Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.997 -0.841 . . . . 1.0 110.997 178.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.546 ' OG1' ' ND1' ' A' ' 170' ' ' HIS . 1.2 m -73.51 138.44 45.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.78 0.324 . . . . 1.0 110.622 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.11 -40.33 64.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.573 -177.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -144.78 127.44 16.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.981 0.42 . . . . 1.0 111.011 -176.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.0 p -144.32 137.68 23.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.823 -0.626 . . . . 1.0 109.862 176.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -143.67 166.1 25.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.146 0.498 . . . . 1.0 111.285 -177.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.8 p -109.51 139.24 33.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.681 -0.691 . . . . 1.0 109.81 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -121.34 120.62 35.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.868 0.366 . . . . 1.0 111.198 -178.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -94.44 164.6 12.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.009 -0.541 . . . . 1.0 109.936 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -130.56 144.93 51.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.901 0.381 . . . . 1.0 110.911 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.421 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 14.7 t70 -116.62 135.76 23.01 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.373 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -44.68 -29.42 3.43 Favored 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.764 2.309 . . . . 1.0 112.082 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -73.94 -8.83 57.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.383 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 101.59 -11.14 57.93 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.781 -0.928 . . . . 1.0 110.781 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.421 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 99.7 m-70 -85.49 140.76 30.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.911 0.386 . . . . 1.0 110.704 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -132.59 154.55 21.14 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.608 -0.997 . . . . 1.0 110.608 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 73.3 p -137.35 157.59 46.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.802 0.334 . . . . 1.0 110.786 -178.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.8 t -101.02 115.5 42.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.144 176.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.9 m -102.75 4.0 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.806 -175.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -159.12 148.47 18.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.925 0.393 . . . . 1.0 110.86 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -166.76 124.94 1.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.298 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -124.85 133.04 53.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.805 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.562 HH21 ' HG ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -118.46 142.1 47.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.533 -179.695 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.512 ' C ' ' H ' ' A' ' 72' ' ' GLU . . . -93.22 -104.7 1.67 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.86 -0.896 . . . . 1.0 110.86 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.64 0.48 1.53 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.767 -0.933 . . . . 1.0 110.767 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.512 ' H ' ' C ' ' A' ' 70' ' ' GLY . 71.9 tt0 60.54 58.01 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.85 0.357 . . . . 1.0 110.621 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -83.03 -56.75 3.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.554 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 27.2 mt -92.95 165.39 18.77 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.552 178.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -78.48 172.01 15.93 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.831 2.354 . . . . 1.0 112.131 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.562 ' HG ' HH21 ' A' ' 69' ' ' ARG . 22.9 t -89.47 129.3 35.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.7 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 34.4 mt -104.49 -11.19 17.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.444 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.2 tp -42.31 137.28 2.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.582 -178.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.41 0.01 73.94 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.8 tp -93.84 127.83 39.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.725 0.298 . . . . 1.0 110.54 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.7 p -98.27 131.04 44.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.636 178.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 23.2 m-85 -102.61 141.37 22.37 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.478 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -78.07 144.68 21.4 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.848 2.365 . . . . 1.0 112.172 178.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.49 -36.16 66.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.73 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.5 -24.48 5.52 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' A' ' 87' ' ' ILE . 50.3 p-10 -55.41 -27.2 46.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.321 . . . . 1.0 110.551 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.576 ' O ' ' O ' ' A' ' 88' ' ' PRO . 93.9 mt -124.55 98.38 37.73 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.537 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.576 ' O ' ' O ' ' A' ' 87' ' ' ILE . 86.7 Cg_exo -44.69 -116.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.836 2.358 . . . . 1.0 112.165 -179.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -151.87 -59.46 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.523 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -48.6 -39.82 25.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.513 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.421 ' O ' ' CD1' ' A' ' 95' ' ' PHE . . . -65.84 -35.26 80.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.544 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -73.3 -24.74 60.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.485 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -58.57 -56.56 20.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.429 -178.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.698 ' O ' ' N ' ' A' ' 98' ' ' ALA . 43.8 mt -55.58 -40.33 71.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.537 -179.224 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.421 ' CD1' ' O ' ' A' ' 91' ' ' ALA . 4.6 m-85 -55.75 -50.15 71.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.781 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -54.27 -21.85 10.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.745 176.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.422 ' N ' ' CD1' ' A' ' 97' ' ' LEU . 10.2 mp -107.87 -26.98 10.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.233 -178.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.698 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -91.46 -37.09 13.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.042 -0.527 . . . . 1.0 110.439 -176.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 98' ' ' ALA . 83.8 mt-30 36.63 61.43 0.84 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.41 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.3 m -143.15 -42.86 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.84 177.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.515 ' O ' HG12 ' A' ' 153' ' ' VAL . 32.5 mtt180 49.0 92.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.222 175.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 47.4 t -144.43 126.33 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.616 178.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.415 HD13 HG23 ' A' ' 103' ' ' ILE . 9.6 mt -108.37 128.98 63.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.721 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.488 ' CG2' ' N ' ' A' ' 105' ' ' ASP . 14.9 p -83.14 169.99 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.253 -179.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.488 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 61.8 m-20 -51.52 121.18 5.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.452 -178.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.9 m -57.97 -10.15 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.562 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -75.85 -35.34 59.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.313 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.07 -14.56 17.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.377 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 50.66 61.96 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.731 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.9 p -85.63 136.44 33.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.432 174.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.3 ptt85 -118.91 129.4 55.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.832 -176.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.542 ' OG ' ' N ' ' A' ' 136' ' ' ASP . 64.1 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.217 177.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.801 0.334 . . . . 1.0 110.497 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.62 ' HE ' ' N ' ' A' ' 134' ' ' PRO . 0.0 OUTLIER -133.46 86.77 39.48 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.651 -178.857 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . 0.62 ' N ' ' HE ' ' A' ' 133' ' ' ARG . 62.0 Cg_exo -48.95 142.11 20.44 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.777 2.318 . . . . 1.0 111.937 178.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.489 ' HB ' ' CD2' ' A' ' 139' ' ' HIS . 3.4 t -131.96 139.03 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.543 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.542 ' N ' ' OG ' ' A' ' 112' ' ' SER . 1.0 OUTLIER -44.58 152.33 0.53 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.435 -179.156 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_exo -46.99 -9.43 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.818 2.346 . . . . 1.0 111.947 178.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . 0.524 ' H ' ' C ' ' A' ' 136' ' ' ASP . 0.0 OUTLIER -58.68 -44.08 90.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.382 179.275 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.557 ' CD2' ' N ' ' A' ' 140' ' ' VAL . 0.1 OUTLIER -82.75 -24.6 33.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.257 -177.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.557 ' N ' ' CD2' ' A' ' 139' ' ' HIS . 10.1 t -50.52 -65.54 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.532 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 145' ' ' SER . 84.0 t60 -62.77 -42.08 99.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.492 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -48.92 -56.68 8.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.442 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.4 mp -64.32 -51.65 62.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.381 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 147' ' ' GLY . 0.3 OUTLIER -57.18 -40.96 78.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.454 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 141' ' ' HIS . 46.4 t -53.41 -29.73 36.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.465 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 23.0 mtt -89.42 -0.16 57.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.432 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 144' ' ' LYS . . . 72.96 24.32 76.2 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 -179.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 150' ' ' SER . 91.0 t -105.06 114.0 43.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.757 0.313 . . . . 1.0 110.707 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -79.03 -38.98 35.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.263 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' SER . . . . . 0.528 ' O ' ' CG1' ' A' ' 148' ' ' VAL . 86.6 p -123.17 157.3 33.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.097 -178.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 32.3 t -152.14 126.02 9.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.953 0.406 . . . . 1.0 111.06 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 66.1 tp -110.45 113.74 26.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.003 178.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.527 ' CG2' ' N ' ' A' ' 154' ' ' VAL . 1.0 OUTLIER -111.89 157.88 12.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.115 0.483 . . . . 1.0 111.245 -179.27 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.527 ' N ' ' CG2' ' A' ' 153' ' ' VAL . 86.9 t -155.02 119.66 2.55 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.687 -0.688 . . . . 1.0 109.975 -177.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' PRO . . . . . 0.453 ' HB3' ' NE ' ' A' ' 101' ' ' ARG . 78.9 Cg_endo -78.94 148.68 22.22 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.901 2.4 . . . . 1.0 112.69 -176.247 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 33.4 mt -118.35 95.47 4.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.246 177.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 17.6 ptm -107.56 135.06 49.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.679 -176.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . 0.532 ' CE1' ' CB ' ' A' ' 196' ' ' ALA . 10.2 t60 -113.98 121.78 44.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.395 176.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.474 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 48.0 t-80 73.51 -110.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.38 -177.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -122.41 -0.21 9.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.468 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -114.94 164.74 13.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.583 -177.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 7.3 mp -104.81 123.17 47.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.438 178.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' TRP . . . . . 0.469 ' CE3' ' OE2' ' A' ' 199' ' ' GLU . 91.3 m95 -104.33 -41.7 5.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.887 -177.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -138.71 176.52 20.81 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.258 -0.737 . . . . 1.0 111.258 -177.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . 0.407 ' CD1' ' NH1' ' A' ' 101' ' ' ARG . 2.9 tp -148.8 130.03 14.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.76 0.314 . . . . 1.0 110.348 -179.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 32.8 tp -99.24 137.09 38.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.624 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 11.4 p -140.36 140.6 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.739 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 4.1 m -125.84 143.33 51.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.384 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -136.09 136.63 40.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.716 -178.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . 0.546 ' ND1' ' OG1' ' A' ' 48' ' ' THR . 1.1 p-80 -174.22 168.87 3.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.492 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.428 ' O ' ' OG ' ' A' ' 150' ' ' SER . . . -55.32 -163.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.633 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -116.11 84.96 14.46 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.661 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . 0.409 ' HG2' ' H ' ' A' ' 174' ' ' ARG . 73.0 Cg_endo -80.69 -62.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.848 2.365 . . . . 1.0 112.026 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.409 ' H ' ' HG2' ' A' ' 173' ' ' PRO . 7.2 ptp180 -158.69 151.86 18.67 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.574 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -48.75 172.6 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.789 2.326 . . . . 1.0 112.07 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 176' ' ' TYR . . . . . 0.512 ' HH ' ' HE2' ' A' ' 170' ' ' HIS . 13.8 m-85 -108.5 116.34 31.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.643 179.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 177' ' ' SER . . . . . 0.434 ' OG ' ' OE1' ' A' ' 180' ' ' GLU . 18.3 t -67.45 140.05 57.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.552 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -63.8 -40.86 97.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.507 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.96 -62.89 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.427 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . 0.434 ' OE1' ' OG ' ' A' ' 177' ' ' SER . 39.5 mp0 -60.49 -31.24 70.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.395 -179.134 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 27.6 tp -58.04 -36.31 72.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.393 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -67.12 -50.16 62.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.412 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 56.3 t -42.57 -51.83 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.131 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 26.7 m -73.59 -36.59 47.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.993 -0.548 . . . . 1.0 110.174 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -48.26 -39.19 20.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.095 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 21.6 tp -71.78 -34.92 69.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.071 178.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 14.9 tp -55.85 -31.52 62.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.034 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -73.92 -38.12 64.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.036 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -57.88 -41.74 83.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.197 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -52.93 -53.82 43.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.081 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 93.7 t -55.75 -42.45 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.097 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 3.1 m -50.3 -34.07 22.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.134 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.7 -35.5 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.103 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -67.99 -46.24 71.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.275 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 15.5 tt -65.4 -30.51 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.233 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . 0.532 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.5 -55.73 5.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.409 179.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -59.3 -25.22 63.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.337 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -73.66 -39.15 64.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.48 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . 0.469 ' OE2' ' CE3' ' A' ' 163' ' ' TRP . 84.9 mt-10 -51.36 -37.47 48.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.376 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . 0.438 ' CD1' ' N ' ' A' ' 200' ' ' LEU . 9.8 mp -57.15 -60.05 4.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.479 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 88.9 p -55.29 -43.26 74.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.534 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 10.6 mp . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.958 -1.02 . . . . 1.0 110.591 179.618 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.1 tt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.849 0.357 . . . . 1.0 110.597 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -62.58 -36.34 82.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.575 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -74.13 -53.83 9.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.53 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.407 HG23 HD12 ' A' ' 34' ' ' ILE . 32.9 mm -51.59 -54.12 13.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.591 -178.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.459 ' O ' ' OG1' ' A' ' 38' ' ' THR . 29.4 mt -57.19 -32.56 66.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.612 -177.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.5 ttt-85 -50.13 -40.3 45.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.559 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.88 -27.16 43.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.599 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 30.6 p -71.31 -44.71 64.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.707 178.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 42.0 t -58.33 -38.25 68.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.653 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -70.67 -41.71 71.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.542 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.36 -41.34 93.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.452 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.6 t -66.34 -55.72 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.509 -178.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.594 ' O ' ' N ' ' A' ' 47' ' ' GLY . 5.0 ttp180 -48.73 -43.03 37.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.553 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.28 -33.31 67.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.555 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -78.72 -46.53 18.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.542 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 71.8 mt -80.4 -9.45 59.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.519 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.594 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 51.42 25.47 12.88 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.951 -0.86 . . . . 1.0 110.951 177.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.421 ' OG1' ' CG2' ' A' ' 51' ' ' VAL . 43.4 p -76.31 136.51 39.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 1.0 110.581 178.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -55.87 -31.37 62.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.62 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.5 ' NH1' ' O ' ' A' ' 74' ' ' LEU . 2.3 ttm105 -148.09 125.69 11.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.936 0.398 . . . . 1.0 111.073 -177.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.421 ' CG2' ' OG1' ' A' ' 48' ' ' THR . 2.1 t -144.25 135.79 21.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.89 -0.595 . . . . 1.0 109.792 175.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -144.97 161.18 40.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.015 0.436 . . . . 1.0 111.242 -177.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.8 p -103.61 139.15 25.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.662 -0.699 . . . . 1.0 109.851 177.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.4 ' CZ ' ' HA3' ' A' ' 62' ' ' GLY . 21.5 t80 -123.78 121.26 34.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.876 0.37 . . . . 1.0 111.191 -177.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.0 ttt-85 -95.32 163.19 13.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.972 -0.558 . . . . 1.0 109.944 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.553 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 84.2 t80 -129.61 146.27 51.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.939 0.4 . . . . 1.0 110.873 -178.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.553 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 1.9 m-20 -116.42 162.57 25.85 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.299 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -72.67 -24.68 18.19 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.729 2.286 . . . . 1.0 112.065 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -77.58 -6.67 54.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.372 -178.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.25 20.25 30.73 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.862 -0.895 . . . . 1.0 110.862 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.421 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 76.4 m80 -116.81 141.41 48.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 1.0 110.707 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.4 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -135.64 157.43 23.26 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.624 -0.991 . . . . 1.0 110.624 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 67.8 p -140.26 159.35 42.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.832 0.349 . . . . 1.0 110.728 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.6 t -99.68 117.34 44.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.169 176.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.4 m -103.21 2.0 10.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.828 -175.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -164.87 155.57 14.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.919 0.39 . . . . 1.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.445 ' OE2' ' NE ' ' A' ' 50' ' ' ARG . 66.4 tt0 -165.77 124.8 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.215 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -120.82 146.0 46.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.81 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.526 ' O ' ' NH1' ' A' ' 43' ' ' ARG . 35.6 ptt85 -144.28 145.51 32.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.481 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -96.57 3.49 63.32 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.521 ' O ' ' NH1' ' A' ' 69' ' ' ARG . . . -159.46 -124.9 0.77 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.749 -0.94 . . . . 1.0 110.749 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -173.8 49.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.8 0.333 . . . . 1.0 110.533 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -81.13 -57.33 3.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.502 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.5 ' O ' ' NH1' ' A' ' 50' ' ' ARG . 30.6 mt -93.93 148.1 34.66 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.546 177.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.407 ' O ' ' CZ ' ' A' ' 50' ' ' ARG . 27.7 Cg_endo -62.98 165.59 16.2 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.778 2.319 . . . . 1.0 112.154 -179.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 31.1 t -87.11 127.73 35.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.67 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 34.8 mt -102.55 -1.39 30.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.433 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 50.3 tp -54.32 136.35 43.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.528 -178.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.41 -0.19 77.43 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.846 -0.902 . . . . 1.0 110.846 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.427 HD22 ' N ' ' A' ' 81' ' ' THR . 4.1 tt -94.96 129.93 41.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.35 . . . . 1.0 110.55 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.427 ' N ' HD22 ' A' ' 80' ' ' LEU . 9.8 t -95.44 127.48 41.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.676 178.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 28.4 m-85 -101.72 148.64 35.56 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.476 -179.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.83 146.06 14.57 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.865 2.376 . . . . 1.0 112.167 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.37 -35.58 76.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.583 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.68 -23.7 7.0 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.993 -0.843 . . . . 1.0 110.993 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -56.52 -31.46 64.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 1.0 110.577 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.475 ' O ' ' O ' ' A' ' 88' ' ' PRO . 7.1 mt -127.23 89.05 52.69 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.609 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.495 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 63.1 Cg_exo -33.83 -101.1 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.867 2.378 . . . . 1.0 112.179 -178.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.495 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 82.1 tt0 -169.06 -32.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.566 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -64.57 -38.84 92.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.555 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.0 -33.19 75.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.524 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -70.19 -23.13 62.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.453 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.576 ' O ' ' N ' ' A' ' 97' ' ' LEU . 94.0 mtt180 -56.43 -57.83 10.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.444 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.576 ' O ' ' N ' ' A' ' 98' ' ' ALA . 21.4 mt -54.92 -37.45 66.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.504 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.414 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 8.0 m-85 -65.14 -42.09 94.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.756 178.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 45.8 mtm-85 -86.6 -17.09 34.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.71 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.576 ' N ' ' O ' ' A' ' 93' ' ' ARG . 22.8 tp -102.1 -51.63 3.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.277 -176.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.576 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -102.61 -10.79 18.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.442 -176.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.487 ' C ' ' O ' ' A' ' 98' ' ' ALA . 89.7 mt-30 34.99 63.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.338 178.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.607 ' C ' ' HE ' ' A' ' 101' ' ' ARG . 15.4 t -107.21 -50.8 7.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.781 176.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.607 ' HE ' ' C ' ' A' ' 100' ' ' VAL . 0.2 OUTLIER 56.45 64.23 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.284 173.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.3 p -146.04 124.26 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.62 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.425 ' CD1' ' N ' ' A' ' 103' ' ' ILE . 1.7 mp -111.19 132.91 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.778 178.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -83.64 171.42 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.335 -178.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.445 ' C ' ' H ' ' A' ' 107' ' ' GLU . 65.4 m-20 -50.69 120.33 4.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.458 -178.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 15.6 m -57.07 -8.28 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.547 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.445 ' H ' ' C ' ' A' ' 105' ' ' ASP . 7.2 pt-20 -78.22 -31.52 49.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.342 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.57 -12.61 6.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.362 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 48.53 60.24 3.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.678 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.14 140.67 29.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.37 175.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 83.0 mtm-85 -122.57 128.99 51.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.855 -177.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.2 t . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.234 178.309 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.76 0.314 . . . . 1.0 110.503 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.572 ' CA ' ' HE ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -114.81 105.26 53.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.665 -179.287 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -80.05 140.96 14.51 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.725 2.284 . . . . 1.0 112.02 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.507 ' CG2' ' ND1' ' A' ' 139' ' ' HIS . 18.1 m -132.27 142.13 43.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.509 -178.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -40.15 155.77 0.18 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.451 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . 0.743 ' O ' HG21 ' A' ' 140' ' ' VAL . 15.9 Cg_endo -58.73 -49.18 12.3 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.774 2.316 . . . . 1.0 111.888 -178.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -47.21 -18.89 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.388 -179.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.507 ' ND1' ' CG2' ' A' ' 135' ' ' VAL . 42.9 t-80 -90.87 -49.48 6.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.265 177.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.743 HG21 ' O ' ' A' ' 137' ' ' PRO . 2.4 m -54.16 -42.76 57.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.969 -0.559 . . . . 1.0 110.54 -178.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.513 ' N ' ' CG2' ' A' ' 140' ' ' VAL . 86.2 t60 -67.51 -42.78 82.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.492 177.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . 0.428 ' CE2' ' CE ' ' A' ' 146' ' ' MET . 39.5 t80 -46.98 -43.4 19.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.414 178.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 11.0 mp -69.25 -48.18 62.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.419 177.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -57.54 -39.67 77.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.46 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 29.0 m -52.59 -28.28 20.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.506 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' MET . . . . . 0.428 ' CE ' ' CE2' ' A' ' 142' ' ' TYR . 28.0 mtt -93.07 1.31 57.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.465 177.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 70.87 22.06 78.23 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.931 -0.867 . . . . 1.0 110.931 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.438 ' CG1' ' O ' ' A' ' 150' ' ' SER . 81.2 t -107.24 113.71 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.72 0.295 . . . . 1.0 110.753 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -91.17 -22.14 20.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.197 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' SER . . . . . 0.438 ' O ' ' CG1' ' A' ' 148' ' ' VAL . 24.9 t -110.69 136.18 50.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.192 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 2.2 t -142.62 120.88 12.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.914 0.388 . . . . 1.0 111.11 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 19.6 tp -118.88 135.95 54.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.998 -0.546 . . . . 1.0 109.994 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.12 154.18 37.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.123 0.487 . . . . 1.0 111.195 -178.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 93.9 t -156.28 79.34 4.01 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.687 -0.688 . . . . 1.0 109.973 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -51.31 154.26 8.51 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.993 2.462 . . . . 1.0 112.676 -176.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 31.5 mt -117.52 96.72 5.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.859 -0.61 . . . . 1.0 110.195 178.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 20.8 ptm -108.12 136.69 47.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.741 -177.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . 0.509 ' CE1' ' CB ' ' A' ' 196' ' ' ALA . 38.1 t60 -111.25 124.0 51.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.43 176.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.448 ' CE1' ' NE2' ' A' ' 158' ' ' HIS . 5.8 m-70 63.77 -103.31 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.447 -177.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.86 -0.11 8.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.411 -178.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -111.4 160.09 17.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.516 -176.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 6.0 tt -107.29 122.33 46.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.401 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -103.36 -39.37 6.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.921 -176.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -140.73 176.66 21.36 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.226 -0.749 . . . . 1.0 111.226 -177.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 26.7 tp -146.4 129.1 16.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.768 0.318 . . . . 1.0 110.405 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 5.8 tp -99.71 142.56 31.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.615 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 9.0 p -151.29 142.28 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.693 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.504 ' O ' ' ND1' ' A' ' 169' ' ' HIS . 13.2 p -126.99 146.16 50.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.417 178.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' HIS . . . . . 0.504 ' ND1' ' O ' ' A' ' 168' ' ' SER . 9.7 m80 -142.5 134.55 27.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.78 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -172.59 169.87 4.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.518 -178.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -54.58 -171.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.622 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -115.84 86.34 16.03 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.6 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -81.44 -59.95 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.881 2.388 . . . . 1.0 112.061 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -153.73 152.07 26.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.532 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -50.02 168.96 0.15 Allowed 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.711 2.274 . . . . 1.0 112.062 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -113.43 142.12 46.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.581 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 31.8 t -90.37 131.82 35.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.56 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -67.14 -39.59 86.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.505 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -60.6 -59.29 5.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.431 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -59.45 -34.08 72.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.471 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 27.5 tp -60.74 -38.39 85.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.451 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . 0.526 ' NE2' ' OE1' ' A' ' 185' ' ' GLN . 60.2 tp60 -56.84 -53.98 51.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.284 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 97.6 t -43.42 -42.03 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.148 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 187' ' ' LEU . 90.2 t -72.65 -38.93 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.164 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.526 ' OE1' ' NE2' ' A' ' 182' ' ' GLN . 56.0 tt0 -46.27 -36.99 6.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.082 178.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 9.9 mp -69.31 -36.35 76.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.006 177.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 184' ' ' VAL . 1.1 tt -55.24 -31.2 61.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.079 178.272 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -73.82 -38.91 64.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.079 178.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . 0.472 ' O ' ' OG ' ' A' ' 192' ' ' SER . 87.1 m-20 -57.02 -41.39 78.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.243 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . 0.417 ' O ' HG22 ' A' ' 193' ' ' ILE . 97.6 mm-40 -53.26 -55.82 21.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.152 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 194' ' ' ALA . 82.4 t -53.76 -40.36 43.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.131 178.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 192' ' ' SER . . . . . 0.472 ' OG ' ' O ' ' A' ' 189' ' ' ASP . 3.5 p -47.1 -29.59 2.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.078 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . 0.482 HG22 ' N ' ' A' ' 194' ' ' ALA . 3.3 tt -80.07 -33.24 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.082 179.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . 0.482 ' N ' HG22 ' A' ' 193' ' ' ILE . . . -72.28 -47.48 49.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.248 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 21.0 tt -63.18 -37.9 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.257 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . 0.509 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.32 -53.85 8.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.413 179.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -59.67 -26.85 65.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.379 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -73.95 -38.4 64.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.432 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -52.98 -36.62 60.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.358 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 38.9 mt -62.02 -57.21 12.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.449 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 19.6 m -55.39 -43.49 75.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.46 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.427 ' CD1' ' N ' ' A' ' 202' ' ' LEU . 10.3 mp . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.962 -1.018 . . . . 1.0 110.539 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.0 tp . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.769 0.319 . . . . 1.0 110.575 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 33' ' ' GLN . 31.3 p-10 -66.42 -33.31 75.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.574 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.407 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 96.2 mt-30 -76.94 -54.61 6.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.586 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.483 ' O ' ' CD1' ' A' ' 34' ' ' ILE . 0.3 OUTLIER -56.9 -35.07 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.544 -178.484 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.41 ' N ' ' CG2' ' A' ' 34' ' ' ILE . 79.3 mt -74.64 -27.81 60.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.655 -179.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.401 ' O ' HG12 ' A' ' 39' ' ' VAL . 61.4 ttt180 -56.96 -35.02 68.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.602 179.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.47 -26.38 32.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.644 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.482 ' HG1' ' N ' ' A' ' 39' ' ' VAL . 68.5 p -73.49 -47.31 42.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.633 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.482 ' N ' ' HG1' ' A' ' 38' ' ' THR . 7.6 p -58.7 -35.92 57.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.682 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -74.87 -45.13 45.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.576 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -60.62 -39.97 90.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.489 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.0 t -65.58 -55.77 18.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.526 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.574 ' O ' ' N ' ' A' ' 47' ' ' GLY . 9.3 tmm_? -51.67 -41.52 61.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.499 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.2 80.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.552 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -80.02 -48.15 13.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.551 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.0 mt -79.62 -8.15 59.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.567 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 39.5 66.96 0.66 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.994 -0.842 . . . . 1.0 110.994 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.544 ' HG1' ' HG ' ' A' ' 168' ' ' SER . 0.1 OUTLIER -119.37 139.96 51.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.879 0.371 . . . . 1.0 110.61 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.565 ' CG ' ' HE ' ' A' ' 73' ' ' ARG . 74.5 m-20 -47.74 -37.41 13.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.614 -176.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -149.16 130.02 14.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.967 0.413 . . . . 1.0 111.011 -177.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.403 ' CG2' ' OG1' ' A' ' 48' ' ' THR . 45.3 t -140.56 131.25 28.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.846 -0.615 . . . . 1.0 109.817 175.114 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -145.55 151.84 38.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.099 0.476 . . . . 1.0 111.234 -177.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 90.1 t -98.1 138.39 22.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.699 -0.682 . . . . 1.0 109.856 177.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -122.47 120.13 32.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 1.0 111.146 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.1 mtm180 -95.97 166.3 11.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.0 -0.546 . . . . 1.0 109.932 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.523 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 82.3 t80 -130.48 146.67 52.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.959 0.409 . . . . 1.0 110.89 -178.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.523 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 22.7 m-20 -116.95 148.5 42.32 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.291 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.76 -25.12 74.68 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.682 2.255 . . . . 1.0 112.038 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -77.34 -4.94 47.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.413 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.32 21.45 32.28 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.416 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 79.0 m80 -117.84 141.99 47.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 1.0 110.777 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -133.54 154.94 21.49 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.622 -0.991 . . . . 1.0 110.622 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.0 p -135.12 156.29 49.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.781 0.324 . . . . 1.0 110.746 -178.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.4 t -96.73 113.49 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.184 176.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.4 p -103.57 1.58 10.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.804 -175.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -162.31 149.56 13.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.375 . . . . 1.0 110.909 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.473 ' CD ' ' O ' ' A' ' 67' ' ' GLU . 2.0 pp20? -164.94 125.89 2.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.277 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -124.25 149.39 46.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.764 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.527 ' NH1' ' O ' ' A' ' 71' ' ' GLY . 36.4 ptt85 -146.28 148.13 32.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.02 -0.537 . . . . 1.0 110.509 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.92 -19.15 25.11 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.527 ' O ' ' NH1' ' A' ' 69' ' ' ARG . . . -130.28 -127.69 2.93 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.743 -0.943 . . . . 1.0 110.743 178.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -174.04 62.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.776 0.322 . . . . 1.0 110.618 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.565 ' HE ' ' CG ' ' A' ' 49' ' ' ASP . 8.6 ptp180 -91.91 -16.51 26.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.559 177.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.2 mt -134.36 164.15 46.1 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.477 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -81.63 174.84 10.04 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.705 2.27 . . . . 1.0 112.111 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.9 p -88.64 130.85 35.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.665 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.0 mt -102.38 -11.29 18.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.476 -178.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.2 tp -42.87 134.07 3.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.545 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.26 -1.44 79.75 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.9 tp -94.55 127.92 40.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.789 0.328 . . . . 1.0 110.554 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.1 t -96.98 128.46 43.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.636 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -99.4 140.75 21.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.533 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -75.53 139.57 23.09 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.818 2.345 . . . . 1.0 112.188 178.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.38 -33.23 65.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.605 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.69 -24.91 6.27 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.026 -0.83 . . . . 1.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -55.46 -31.42 61.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 1.0 110.607 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 8.3 mt -133.98 90.0 27.82 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.499 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.418 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 79.7 Cg_exo -37.72 -94.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.885 2.39 . . . . 1.0 112.079 -178.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.418 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 83.1 tt0 -170.08 -49.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.579 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -48.09 -38.6 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.588 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.455 ' O ' ' CD2' ' A' ' 95' ' ' PHE . . . -66.7 -41.25 88.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.57 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -60.14 -22.58 63.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.555 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 58.9 mtp85 -68.04 -52.58 33.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.502 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.57 ' O ' ' N ' ' A' ' 98' ' ' ALA . 9.1 mp -44.6 -55.41 5.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.422 -178.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.566 ' O ' ' N ' ' A' ' 99' ' ' GLN . 9.2 m-85 -66.85 -30.16 70.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.765 -178.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -63.94 -25.48 68.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.697 175.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.0 mp -107.43 -31.18 8.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.213 178.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.671 ' CB ' HH12 ' A' ' 133' ' ' ARG . . . -94.59 -30.28 14.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.376 -177.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.566 ' N ' ' O ' ' A' ' 95' ' ' PHE . 91.4 mt-30 38.32 66.09 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.341 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.6 m -136.4 -42.79 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.77 177.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.531 ' NE ' ' CG ' ' A' ' 95' ' ' PHE . 24.4 mmt180 53.09 82.1 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.383 -0.372 . . . . 1.0 110.231 176.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 34.2 m -146.94 122.7 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.605 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.497 ' CD1' ' N ' ' A' ' 103' ' ' ILE . 1.9 mp -109.33 136.42 45.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.701 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.8 m -81.81 171.71 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.297 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.401 ' OD1' ' OE2' ' A' ' 172' ' ' GLU . 0.3 OUTLIER -47.04 118.35 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.478 -178.485 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.9 m -58.29 -11.23 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.495 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -79.98 -28.15 39.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.362 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.05 -12.7 8.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.378 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 50.62 61.69 3.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.667 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.8 p -86.1 139.47 31.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.367 175.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -122.26 129.32 52.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.822 -177.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.474 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 6.4 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.268 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.814 0.34 . . . . 1.0 110.423 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.671 HH12 ' CB ' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -115.66 108.56 46.83 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.725 -179.581 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -80.25 144.39 16.38 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.718 2.279 . . . . 1.0 111.977 178.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 34.6 m -126.44 136.19 61.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.577 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.474 ' HA ' ' H ' ' A' ' 112' ' ' SER . 0.1 OUTLIER -44.23 157.5 0.29 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.502 179.244 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.66 -30.13 82.5 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.819 2.346 . . . . 1.0 111.924 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 139' ' ' HIS . 0.0 OUTLIER -53.22 -39.26 63.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.353 179.452 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.466 ' N ' ' SG ' ' A' ' 138' ' ' CYS . 48.0 t-80 -81.79 -36.92 27.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.275 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 65.2 t -49.98 -55.06 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.494 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -64.83 -39.15 93.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.436 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -45.47 -49.77 13.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.499 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 76.9 mt -67.16 -51.03 58.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.4 178.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -53.71 -39.82 65.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.414 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.9 t -55.08 -28.1 49.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.59 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 23.3 mtt -89.34 0.29 56.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.464 177.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 69.96 25.39 75.65 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 178.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.509 ' CG1' ' O ' ' A' ' 148' ' ' VAL . 6.2 p -110.03 119.69 59.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.766 0.317 . . . . 1.0 110.668 179.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -82.57 -33.57 28.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.241 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 73.8 m -110.16 146.65 35.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.152 -178.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.416 ' O ' ' OG ' ' A' ' 151' ' ' SER . 0.0 OUTLIER -139.09 106.0 5.42 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.806 -0.357 . . . . 1.0 111.103 -179.611 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 22.7 tp -101.94 117.01 33.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.05 -0.523 . . . . 1.0 109.972 178.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.496 ' CG2' ' N ' ' A' ' 154' ' ' VAL . 2.4 p -128.57 158.38 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.282 -178.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.496 ' N ' ' CG2' ' A' ' 153' ' ' VAL . 10.6 t -150.34 137.09 11.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.649 -0.705 . . . . 1.0 109.926 -178.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -94.1 148.77 2.05 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.941 2.427 . . . . 1.0 112.693 -175.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 32.8 mt -117.67 98.05 6.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.196 178.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 41.5 mtp -108.24 124.45 50.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.768 -178.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . 0.635 ' ND1' ' NE2' ' A' ' 159' ' ' HIS . 4.4 t-80 -109.58 124.34 50.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.425 176.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.635 ' NE2' ' ND1' ' A' ' 158' ' ' HIS . 70.8 m-70 68.47 -112.09 0.12 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.452 -177.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -121.06 0.93 10.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.455 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -117.55 166.78 11.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.54 -177.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 5.9 tt -104.42 121.18 42.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.467 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' TRP . . . . . 0.401 ' CD1' ' HB3' ' A' ' 158' ' ' HIS . 59.7 m95 -103.1 -43.47 5.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.849 -176.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -136.95 176.64 20.32 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.28 -0.728 . . . . 1.0 111.28 -177.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.3 tp -150.0 125.37 10.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.744 0.307 . . . . 1.0 110.477 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.433 ' O ' ' O ' ' A' ' 154' ' ' VAL . 60.4 tp -99.14 135.9 39.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.561 178.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 14.8 p -142.59 146.46 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.672 -178.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.544 ' HG ' ' HG1' ' A' ' 48' ' ' THR . 46.7 t -135.43 146.1 47.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.364 178.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -139.18 140.43 37.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.794 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . 0.49 ' ND1' ' HB ' ' A' ' 48' ' ' THR . 1.3 p-80 -172.43 168.97 5.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.496 -178.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -53.8 -172.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.621 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . 0.401 ' OE2' ' OD1' ' A' ' 105' ' ' ASP . 45.7 tt0 -120.33 80.47 29.08 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.6 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -84.47 -42.36 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.857 2.371 . . . . 1.0 112.171 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -154.5 154.11 28.93 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.575 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -68.28 178.46 3.65 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.826 2.351 . . . . 1.0 112.04 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -113.89 132.26 55.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.575 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 25.7 t -82.66 143.41 30.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.527 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -66.47 -42.11 88.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.465 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -60.79 -54.44 45.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.496 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -65.6 -29.08 69.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.421 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 31.5 tp -60.4 -31.25 70.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.386 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -71.01 -52.45 19.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.342 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 61.8 t -42.95 -48.68 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.152 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 187' ' ' LEU . 31.3 m -73.85 -37.24 47.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.217 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -47.05 -37.29 9.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.081 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 59.3 mt -73.08 -33.11 65.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.062 178.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 184' ' ' VAL . 9.7 tp -56.47 -32.69 65.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.019 178.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -74.26 -38.65 63.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.076 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -56.36 -41.25 75.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.149 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -54.32 -54.14 44.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.174 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 94.9 t -54.93 -44.31 72.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.116 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 6.4 t -48.56 -34.19 11.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.137 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 70.0 mt -79.48 -32.7 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.171 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -68.03 -44.54 76.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.266 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 12.5 tt -65.19 -32.49 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.231 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -76.3 -57.54 3.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.402 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -55.33 -26.62 41.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.385 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -75.3 -36.18 61.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.432 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -49.57 -36.63 24.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.443 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 42.6 mt -53.0 -60.82 2.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.493 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 27.8 m -49.02 -39.62 27.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.445 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.42 ' CD1' ' N ' ' A' ' 202' ' ' LEU . 10.2 mp . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.952 -1.023 . . . . 1.0 110.557 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 22.1 tp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.848 0.356 . . . . 1.0 110.537 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -68.83 -31.54 70.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.598 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -78.04 -52.24 9.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.586 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.2 tp -62.66 -29.3 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.534 -178.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.47 ' O ' HG22 ' A' ' 38' ' ' THR . 82.6 mt -79.48 -22.73 43.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.619 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -76.21 -39.72 53.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.529 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.86 -34.3 45.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.608 -177.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.532 ' CG2' ' N ' ' A' ' 39' ' ' VAL . 4.3 t -65.92 -43.91 86.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.636 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.532 ' N ' ' CG2' ' A' ' 38' ' ' THR . 10.7 t -57.08 -36.83 52.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.68 178.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.06 -35.67 79.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.581 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -65.92 -41.84 90.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.513 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.1 t -61.55 -41.5 90.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.543 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.574 ' O ' ' N ' ' A' ' 47' ' ' GLY . 1.2 tmm_? -58.86 -51.96 67.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.537 179.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.423 ' N ' ' HE ' ' A' ' 43' ' ' ARG . . . -59.47 -41.12 89.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.505 -179.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -75.22 -53.9 8.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.569 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.54 ' O ' ' N ' ' A' ' 48' ' ' THR . 1.3 tp -77.67 -3.21 39.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.54 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 42.47 19.13 0.05 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 178.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.54 ' N ' ' O ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -73.13 139.04 46.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.825 0.345 . . . . 1.0 110.634 179.816 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.49 ' OD2' ' CZ ' ' A' ' 73' ' ' ARG . 72.2 m-20 -53.8 -37.13 63.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.63 -177.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.496 ' NH2' ' SD ' ' A' ' 146' ' ' MET . 60.2 ttp180 -146.38 128.58 15.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.957 0.408 . . . . 1.0 111.045 -176.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.15 134.64 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.822 -0.626 . . . . 1.0 109.853 175.415 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -145.32 153.51 41.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.032 0.444 . . . . 1.0 111.241 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.8 t -96.29 136.31 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.697 -0.683 . . . . 1.0 109.841 177.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -117.81 117.0 28.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.845 0.355 . . . . 1.0 111.2 -178.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.8 mtm180 -95.43 163.06 13.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.994 -0.548 . . . . 1.0 109.892 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.53 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 85.1 t80 -129.83 146.12 51.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.892 0.377 . . . . 1.0 110.914 -178.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.53 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 1.1 m-20 -113.7 148.07 39.0 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.293 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -60.84 -24.43 79.09 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.71 2.273 . . . . 1.0 112.063 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -77.53 -9.77 59.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.43 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 98.96 23.07 11.97 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.821 -0.912 . . . . 1.0 110.821 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -115.29 136.11 53.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 1.0 110.68 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -123.81 143.53 14.97 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.645 -0.982 . . . . 1.0 110.645 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 81.7 p -133.33 153.3 51.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.81 0.338 . . . . 1.0 110.752 -178.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.686 ' CG1' ' H ' ' A' ' 79' ' ' GLY . 7.5 p -103.19 118.4 50.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.158 176.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.5 m -107.12 3.33 10.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.825 -175.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -157.31 145.25 19.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.92 0.39 . . . . 1.0 110.858 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.529 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 89.3 tt0 -167.41 126.42 1.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.215 179.058 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -128.19 145.94 50.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.769 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.449 ' NH1' ' O ' ' A' ' 74' ' ' LEU . 80.3 mtm180 -134.78 145.08 48.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.451 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -95.64 -53.89 1.5 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -91.67 -131.21 5.18 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.695 -0.962 . . . . 1.0 110.695 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.0 tp10 -173.25 56.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 1.0 110.588 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.49 ' CZ ' ' OD2' ' A' ' 49' ' ' ASP . 16.8 ptp180 -90.92 -48.15 7.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.462 177.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.449 ' O ' ' NH1' ' A' ' 69' ' ' ARG . 10.0 mt -103.12 148.87 36.29 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.511 178.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -66.88 175.17 5.74 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.739 2.292 . . . . 1.0 112.127 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 32.9 t -90.63 136.51 33.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.697 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.482 ' O ' ' C ' ' A' ' 78' ' ' LEU . 30.1 mt -109.2 -15.49 14.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.476 -179.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.529 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 8.4 tp -33.59 136.1 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.521 -178.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.686 ' H ' ' CG1' ' A' ' 64' ' ' VAL . . . 92.12 0.37 71.13 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.8 tp -86.41 125.07 33.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.769 0.318 . . . . 1.0 110.54 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.3 p -101.5 129.19 47.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.648 177.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 4.0 m-85 -103.42 147.58 34.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.509 -179.121 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -79.97 145.65 17.77 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.854 2.369 . . . . 1.0 112.167 177.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.31 -38.4 71.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.691 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.85 -23.6 7.21 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.006 -0.837 . . . . 1.0 111.006 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -55.25 -26.54 40.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.745 0.307 . . . . 1.0 110.525 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.465 ' O ' ' O ' ' A' ' 88' ' ' PRO . 93.9 mt -134.54 93.18 18.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.53 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.465 ' O ' ' O ' ' A' ' 87' ' ' ILE . 85.6 Cg_exo -40.39 -103.54 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.775 2.316 . . . . 1.0 112.203 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.482 ' HG2' ' H ' ' A' ' 90' ' ' GLU . 1.1 pm0 -162.24 -53.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.51 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.482 ' H ' ' HG2' ' A' ' 89' ' ' GLU . 20.0 pt-20 -46.2 -39.83 10.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.553 -177.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.34 -43.69 73.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.569 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -67.42 -27.5 67.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.542 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 59.5 mtp85 -59.67 -52.89 63.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.523 -178.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 98' ' ' ALA . 18.0 tp -52.31 -44.56 65.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.469 -178.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.437 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 7.4 m-85 -55.1 -31.12 60.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.782 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 70.3 mtm180 -84.91 -18.48 34.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.696 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.9 mp -103.15 -50.97 3.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.235 -177.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -99.52 -15.55 18.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.49 -174.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.482 ' C ' ' O ' ' A' ' 98' ' ' ALA . 90.4 mt-30 34.66 61.63 0.56 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.34 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.596 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 35.2 m -93.39 -44.52 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.77 177.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.596 ' CG ' ' O ' ' A' ' 100' ' ' VAL . 46.8 ptt85 47.1 49.55 14.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.338 173.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.8 p -144.62 125.63 8.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.617 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.458 ' CG2' ' OG ' ' A' ' 151' ' ' SER . 1.6 mp -112.66 134.81 54.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.7 179.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -84.47 171.67 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.289 -179.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -51.18 121.9 6.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.45 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 15.5 m -58.98 -9.72 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.547 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -75.71 -34.63 60.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.304 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.33 -10.62 2.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.356 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 47.02 62.42 2.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.729 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.74 136.63 33.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.393 175.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 74.6 mtp85 -120.55 132.18 55.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.835 -176.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.443 ' O ' ' CG ' ' A' ' 136' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.242 177.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . 0.41 ' CD ' ' O ' ' A' ' 132' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.815 0.34 . . . . 1.0 110.431 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -112.37 103.48 55.44 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.693 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -48.5 146.96 9.76 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.743 2.295 . . . . 1.0 111.985 177.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -127.82 137.78 56.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.562 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 136' ' ' ASP . 0.3 OUTLIER -42.29 150.74 0.38 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.493 -179.704 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -50.54 -10.29 0.26 Allowed 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.854 2.369 . . . . 1.0 111.918 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . 0.456 ' H ' ' C ' ' A' ' 136' ' ' ASP . 0.7 OUTLIER -68.85 -43.15 76.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.386 179.127 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.441 ' NE2' ' CD1' ' A' ' 143' ' ' LEU . 0.0 OUTLIER -82.39 -41.2 20.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.302 -175.357 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.61 ' CG2' ' N ' ' A' ' 141' ' ' HIS . 1.7 m -54.71 -48.96 71.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.527 -178.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.61 ' N ' ' CG2' ' A' ' 140' ' ' VAL . 31.1 t-80 -69.45 -41.91 75.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.448 178.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . 0.506 ' CZ ' ' CE ' ' A' ' 146' ' ' MET . 52.5 t80 -45.8 -42.75 12.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.459 178.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.441 ' CD1' ' NE2' ' A' ' 139' ' ' HIS . 83.9 mt -71.37 -48.38 50.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.454 177.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -57.86 -42.86 85.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.472 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.508 ' OG ' ' CE1' ' A' ' 141' ' ' HIS . 25.9 m -54.6 -27.7 41.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.417 178.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' MET . . . . . 0.506 ' CE ' ' CZ ' ' A' ' 142' ' ' TYR . 28.8 mtt -92.59 0.04 57.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.465 177.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 71.74 24.88 76.11 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 178.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.563 ' CG2' ' O ' ' A' ' 150' ' ' SER . 0.4 OUTLIER -113.02 122.06 66.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.836 0.351 . . . . 1.0 110.616 178.844 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -89.84 -24.57 21.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.293 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' SER . . . . . 0.563 ' O ' ' CG2' ' A' ' 148' ' ' VAL . 50.2 m -108.06 135.03 50.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.18 -178.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.458 ' OG ' ' CG2' ' A' ' 103' ' ' ILE . 1.4 p -136.73 116.72 13.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.884 0.374 . . . . 1.0 111.127 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 21.5 tp -116.64 134.11 55.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.009 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.416 ' C ' ' CG2' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -126.81 156.88 38.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.046 0.451 . . . . 1.0 111.254 -178.609 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.416 ' CG2' ' C ' ' A' ' 153' ' ' VAL . 1.4 t -151.42 76.08 7.73 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 115.727 -0.67 . . . . 1.0 109.963 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_exo -47.57 145.19 9.38 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.972 2.448 . . . . 1.0 112.688 -176.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 28.9 mt -111.86 96.82 6.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.222 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 17.9 ptm -112.58 134.54 54.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.796 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . 0.524 ' CE1' ' CB ' ' A' ' 196' ' ' ALA . 29.3 t60 -112.71 124.16 51.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.425 177.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.406 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 79.5 t60 67.4 -110.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.408 -178.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . 0.401 ' N ' ' CG ' ' A' ' 159' ' ' HIS . 23.5 tt0 -120.11 3.04 10.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.427 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -114.47 163.32 15.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.559 -177.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . 0.429 ' CD1' ' N ' ' A' ' 162' ' ' LEU . 10.5 mp -104.64 122.06 44.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.485 177.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 50.8 m95 -104.97 -41.63 5.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.909 -176.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -143.25 175.15 23.48 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.306 -0.718 . . . . 1.0 111.306 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.6 tp -146.4 134.18 21.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.747 0.308 . . . . 1.0 110.451 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 40.7 tp -104.75 143.17 33.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.618 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 13.0 p -148.01 136.71 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.692 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.572 ' O ' ' ND1' ' A' ' 169' ' ' HIS . 2.5 m -123.99 142.51 51.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.358 179.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' HIS . . . . . 0.572 ' ND1' ' O ' ' A' ' 168' ' ' SER . 12.2 m-70 -142.78 137.69 29.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.723 -179.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -171.22 169.35 6.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.487 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -55.51 -171.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.617 178.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . 0.486 ' O ' ' OE1' ' A' ' 172' ' ' GLU . 0.0 OUTLIER -117.51 79.53 12.29 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.619 179.762 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -83.66 -55.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.856 2.37 . . . . 1.0 112.167 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 11.9 mtp-105 -144.79 153.25 54.0 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.524 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.17 175.17 5.08 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.812 2.341 . . . . 1.0 112.079 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 176' ' ' TYR . . . . . 0.473 ' CD1' ' O ' ' A' ' 176' ' ' TYR . 30.2 p90 -119.61 133.88 55.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.618 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 53.3 p -83.76 140.63 31.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.58 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -66.53 -36.94 83.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.518 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -60.39 -55.81 29.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.517 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -64.74 -32.68 74.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.459 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 30.4 tp -57.49 -43.4 84.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.409 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -58.04 -49.88 75.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.299 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 64.4 t -43.32 -42.41 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.139 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 187' ' ' LEU . 93.5 t -73.88 -38.76 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.141 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.521 ' CD ' HH21 ' A' ' 101' ' ' ARG . 6.8 tt0 -45.23 -37.68 4.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.078 178.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 19.6 tp -72.42 -34.2 67.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.078 177.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 184' ' ' VAL . 6.7 tt -56.01 -34.5 65.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.079 178.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -75.54 -39.61 58.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.156 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -55.06 -41.39 71.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.088 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -54.74 -53.63 52.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.119 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 194' ' ' ALA . 78.4 t -51.28 -44.71 31.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.084 178.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 4.3 t -47.99 -30.33 4.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.078 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . 0.409 HD13 HG21 ' A' ' 193' ' ' ILE . 7.8 mm -80.19 -32.19 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.09 178.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 191' ' ' VAL . . . -71.03 -46.75 61.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.203 -178.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 2.3 pp -67.15 -32.61 58.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.268 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . 0.524 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.65 -56.54 4.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.347 178.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -59.26 -25.67 64.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.337 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -74.4 -37.69 63.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.416 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -51.6 -37.51 50.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.453 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 43.5 tp -57.93 -58.62 7.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.482 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 88.1 p -53.65 -42.38 67.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.529 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 10.7 mp . . . . . 0 C--O 1.219 -0.53 0 CA-C-O 117.983 -1.008 . . . . 1.0 110.603 179.719 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.1 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.827 0.346 . . . . 1.0 110.537 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -63.46 -34.6 78.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.568 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -76.87 -56.31 4.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.57 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.474 ' O ' ' CD1' ' A' ' 34' ' ' ILE . 0.2 OUTLIER -56.22 -36.48 46.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.557 -178.381 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.503 ' O ' ' OG1' ' A' ' 38' ' ' THR . 84.1 mt -72.35 -27.18 62.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.661 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.42 ' O ' HG13 ' A' ' 39' ' ' VAL . 59.3 ttt180 -57.76 -34.66 69.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.561 179.186 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.18 -25.07 34.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.628 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.503 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 59.4 p -71.34 -48.18 51.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.656 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 40' ' ' GLU . 4.4 p -56.53 -39.41 61.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.664 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.455 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 98.2 mt-10 -70.95 -40.05 72.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.598 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -62.66 -43.98 97.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.502 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 70.1 t -64.2 -49.96 78.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.534 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.537 ' O ' ' N ' ' A' ' 47' ' ' GLY . 5.7 tmm_? -48.81 -44.61 39.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.512 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.04 -40.58 94.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.544 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -72.99 -52.88 12.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.608 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.565 ' O ' ' N ' ' A' ' 48' ' ' THR . 97.9 mt -79.82 -0.59 35.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.576 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.63 20.89 0.03 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 178.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.565 ' N ' ' O ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -72.42 136.67 46.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.899 0.38 . . . . 1.0 110.63 179.491 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.535 ' CG ' ' ND1' ' A' ' 170' ' ' HIS . 58.6 m-20 -54.97 -37.98 67.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.609 -177.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.664 ' NH2' ' H ' ' A' ' 74' ' ' LEU . 67.3 mtt85 -144.66 125.1 13.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.437 . . . . 1.0 111.017 -176.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.9 p -144.25 138.62 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.867 -0.606 . . . . 1.0 109.834 177.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -144.28 163.05 34.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.022 0.439 . . . . 1.0 111.271 -177.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.3 t -107.03 140.53 24.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.77 -0.65 . . . . 1.0 109.83 178.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -123.92 120.42 32.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.893 0.378 . . . . 1.0 111.222 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.532 ' NE ' ' OG1' ' A' ' 63' ' ' THR . 1.5 ppt_? -95.53 164.86 12.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.007 179.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -130.28 145.26 51.74 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.765 -0.374 . . . . 1.0 110.909 -178.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 22.0 t70 -116.01 133.66 22.85 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.298 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -44.04 -31.11 3.69 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.755 2.304 . . . . 1.0 112.044 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -71.69 -9.64 58.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.43 -178.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.96 18.21 27.83 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.8 -0.92 . . . . 1.0 110.8 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.476 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 85.3 m-70 -114.93 139.75 49.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 1.0 110.745 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -134.53 155.94 22.18 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.627 -0.989 . . . . 1.0 110.627 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.532 ' OG1' ' NE ' ' A' ' 55' ' ' ARG . 18.8 p -138.91 159.66 41.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.837 0.351 . . . . 1.0 110.831 -177.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.678 ' CG1' ' H ' ' A' ' 79' ' ' GLY . 11.7 p -101.05 113.74 38.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.156 175.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.3 m -101.41 3.69 10.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.883 -175.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -160.45 148.19 16.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 1.0 110.898 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.544 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 87.9 tt0 -167.67 126.33 1.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.258 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -124.87 133.36 53.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.816 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 49.6 mtm180 -114.35 141.71 47.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.503 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -91.72 -74.87 1.29 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 178.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.24 -120.9 1.21 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.741 -0.944 . . . . 1.0 110.741 178.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -174.06 53.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.797 0.332 . . . . 1.0 110.601 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -90.49 -19.56 23.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.56 176.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.664 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 9.0 mt -130.3 162.73 52.55 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.538 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -81.88 173.16 11.39 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.749 2.3 . . . . 1.0 112.049 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 60.0 p -90.61 139.68 30.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.649 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.507 ' O ' ' C ' ' A' ' 78' ' ' LEU . 31.5 mt -113.47 -18.32 12.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.494 -178.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.544 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 7.8 tp -32.16 135.58 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.524 -177.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.678 ' H ' ' CG1' ' A' ' 64' ' ' VAL . . . 92.82 1.44 67.85 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 -179.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.436 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 3.5 tt -85.78 124.11 31.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.343 . . . . 1.0 110.587 -178.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.426 ' N ' HD23 ' A' ' 80' ' ' LEU . 29.0 m -94.71 122.73 37.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.616 177.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.504 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 11.2 m-85 -97.01 137.67 21.28 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.464 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -78.83 146.21 20.62 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.828 2.352 . . . . 1.0 112.182 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.6 -35.88 73.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.683 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -47.21 -23.17 1.67 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -52.63 -28.41 21.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.367 . . . . 1.0 110.619 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 14.9 pt -137.28 138.51 25.33 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.468 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.45 -94.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.859 2.372 . . . . 1.0 112.234 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -172.89 -25.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.605 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 91' ' ' ALA . 20.6 pt-20 -70.1 -41.24 74.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.53 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.412 ' N ' ' CG ' ' A' ' 90' ' ' GLU . . . -62.15 -34.69 76.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.522 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -65.25 -21.44 66.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.602 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.3 mmt85 -57.9 -54.78 43.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.45 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.628 ' O ' ' N ' ' A' ' 98' ' ' ALA . 8.7 mp -47.18 -49.4 22.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.513 178.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -64.82 -18.53 65.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.764 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -92.35 -35.24 13.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.672 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 23.1 mt -106.62 -41.36 5.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.177 -177.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.628 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -83.51 -28.01 28.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.432 -177.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.491 ' C ' ' O ' ' A' ' 98' ' ' ALA . 93.1 mt-30 32.68 58.56 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.358 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.3 t -106.02 -46.48 8.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.844 176.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 56.18 55.69 6.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.165 173.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 8.2 p -146.91 128.19 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.634 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.41 ' CG2' ' OG ' ' A' ' 151' ' ' SER . 1.7 mp -112.19 135.01 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.721 178.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -82.65 170.3 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.309 -178.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -50.02 122.66 6.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.416 -0.357 . . . . 1.0 110.443 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 16.8 m -58.7 -10.1 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.552 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -76.35 -33.71 58.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.366 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.13 -13.2 10.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.431 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 49.52 62.91 2.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.73 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.3 p -84.7 136.29 33.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.36 174.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 94.2 mtm-85 -119.58 129.0 54.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.848 -176.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.228 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . 0.633 ' NE2' ' N ' ' A' ' 132' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.807 0.337 . . . . 1.0 110.477 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -109.08 103.61 52.75 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.688 -179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -80.57 143.66 15.3 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.775 2.316 . . . . 1.0 111.982 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 1.9 t -130.55 138.82 52.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.506 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.26 153.47 0.24 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.429 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -50.07 -24.34 10.83 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.797 2.332 . . . . 1.0 111.953 -178.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -53.73 -51.06 64.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.482 178.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.468 ' NE2' ' CD1' ' A' ' 143' ' ' LEU . 0.1 OUTLIER -70.54 -37.05 74.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.281 -179.259 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 48.9 t -52.01 -64.36 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.473 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -61.76 -39.81 92.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.447 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . 0.479 ' CZ ' ' CE ' ' A' ' 146' ' ' MET . 60.5 t80 -44.97 -45.18 10.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.416 179.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.468 ' CD1' ' NE2' ' A' ' 139' ' ' HIS . 88.1 mt -69.37 -50.75 43.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.407 178.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -54.35 -40.84 68.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.439 -178.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 29.2 t -55.4 -25.2 34.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.479 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' MET . . . . . 0.479 ' CE ' ' CZ ' ' A' ' 142' ' ' TYR . 29.0 mtt -93.15 -0.71 56.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.457 177.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 68.82 25.25 75.33 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.862 -0.895 . . . . 1.0 110.862 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.478 ' O ' ' CG2' ' A' ' 148' ' ' VAL . 5.3 m -111.37 119.12 59.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.755 0.312 . . . . 1.0 110.697 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -81.6 -27.53 34.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.215 -179.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 34.5 t -106.8 146.46 30.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.116 -178.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.41 ' OG ' ' CG2' ' A' ' 103' ' ' ILE . 2.5 p -147.03 111.86 5.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.897 0.379 . . . . 1.0 111.161 179.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 43.1 tp -108.53 133.17 53.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.0 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.406 ' CG2' ' N ' ' A' ' 154' ' ' VAL . 1.5 p -129.54 152.08 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.083 0.468 . . . . 1.0 111.207 -178.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.406 ' N ' ' CG2' ' A' ' 153' ' ' VAL . 69.3 t -157.1 89.15 2.57 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.703 -0.681 . . . . 1.0 109.941 -177.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -55.47 153.17 29.76 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.967 2.445 . . . . 1.0 112.66 -176.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 31.0 mt -109.13 97.92 7.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.263 177.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 59.7 mtp -106.88 124.02 49.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.786 -176.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . 0.579 ' CE1' ' CB ' ' A' ' 196' ' ' ALA . 22.1 t60 -114.6 120.11 39.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.401 176.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.494 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 38.9 t-80 77.35 -114.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.336 -176.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -122.21 2.78 9.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.417 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -117.18 168.13 10.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.526 -178.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 6.3 tt -104.01 123.59 47.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.433 178.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' TRP . . . . . 0.526 ' CE3' ' OE2' ' A' ' 199' ' ' GLU . 50.9 m95 -104.96 -38.78 6.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.835 -176.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -141.21 174.42 22.83 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.243 -0.743 . . . . 1.0 111.243 -178.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.4 tp -143.25 130.98 21.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.714 0.292 . . . . 1.0 110.423 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 12.5 tp -104.75 138.69 40.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.626 178.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 70.8 t -150.67 132.29 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.691 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.454 ' O ' ' ND1' ' A' ' 169' ' ' HIS . 4.9 m -118.79 146.05 45.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.397 178.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' HIS . . . . . 0.454 ' ND1' ' O ' ' A' ' 168' ' ' SER . 20.2 m-70 -138.61 136.43 35.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.748 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . 0.709 ' CD2' ' N ' ' A' ' 171' ' ' ALA . 43.7 t60 -170.47 168.57 7.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.443 -178.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.709 ' N ' ' CD2' ' A' ' 170' ' ' HIS . . . -54.96 -167.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.561 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -114.2 94.42 34.92 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.592 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . 0.425 ' HG2' ' H ' ' A' ' 174' ' ' ARG . 94.1 Cg_endo -85.5 -65.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.851 2.368 . . . . 1.0 112.098 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.425 ' H ' ' HG2' ' A' ' 173' ' ' PRO . 89.0 mtt180 -151.39 153.52 32.48 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.548 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -49.43 170.97 0.08 OUTLIER 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.759 2.306 . . . . 1.0 112.106 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 176' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 176' ' ' TYR . 16.2 p90 -117.13 139.11 51.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.645 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 25.9 t -95.39 141.2 29.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.529 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -63.58 -32.66 74.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.519 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.09 -50.12 73.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.479 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -68.51 -31.3 70.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.436 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 32.0 tp -58.44 -35.35 71.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.436 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -68.26 -50.54 53.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.372 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 54.3 t -43.02 -50.13 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.135 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 5.0 p -74.52 -36.51 41.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.237 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -47.73 -40.34 20.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.056 178.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 14.4 tp -73.51 -33.87 64.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.069 178.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 6.7 tt -56.58 -32.73 65.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.069 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -73.63 -38.51 65.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.067 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -58.67 -40.31 83.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.183 179.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . 0.44 ' O ' HG21 ' A' ' 193' ' ' ILE . 62.7 tt0 -53.9 -56.66 15.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.14 179.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 194' ' ' ALA . 88.3 t -52.43 -41.79 36.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.144 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 1.7 m -47.25 -28.7 2.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.093 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . 0.469 HG21 ' N ' ' A' ' 194' ' ' ALA . 3.3 tt -79.98 -32.61 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.138 179.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 191' ' ' VAL . . . -72.43 -47.33 49.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.163 -179.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . 0.402 ' CG2' ' N ' ' A' ' 196' ' ' ALA . 3.4 tp -62.57 -39.07 83.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.233 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . 0.579 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.27 -54.64 6.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.35 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . 0.417 ' O ' ' NE2' ' A' ' 197' ' ' GLN . 15.2 tm0? -56.7 -25.27 53.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.345 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -74.15 -37.81 63.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.48 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . 0.526 ' OE2' ' CE3' ' A' ' 163' ' ' TRP . 94.5 mt-10 -51.87 -38.47 56.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.408 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 28.9 tp -52.37 -67.05 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.465 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 19.3 m -66.38 -50.23 64.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.583 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 46.2 mt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.059 -0.972 . . . . 1.0 110.565 179.935 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.523 ' CD2' HH12 ' A' ' 55' ' ' ARG . 12.0 tp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.788 0.328 . . . . 1.0 110.542 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.7 p-10 -64.42 -32.18 73.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.565 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -76.87 -50.66 12.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.526 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.486 ' O ' ' CD1' ' A' ' 34' ' ' ILE . 0.3 OUTLIER -62.35 -29.33 46.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.557 -179.203 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.665 ' O ' HG22 ' A' ' 38' ' ' THR . 76.6 mt -80.29 -19.36 46.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.644 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.445 ' O ' HG11 ' A' ' 39' ' ' VAL . 53.1 ttm-85 -73.66 -34.87 65.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.539 179.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.3 -25.33 29.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.592 -178.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.665 HG22 ' O ' ' A' ' 35' ' ' LEU . 2.7 t -71.73 -43.0 66.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.6 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.533 ' N ' ' CG2' ' A' ' 38' ' ' THR . 4.1 p -56.3 -38.01 53.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.686 178.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.436 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 98.8 mt-10 -75.22 -34.48 61.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.607 179.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -66.08 -52.53 47.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.519 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.41 ' CG1' ' N ' ' A' ' 43' ' ' ARG . 10.1 p -61.71 -44.98 99.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.541 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.534 ' O ' ' N ' ' A' ' 47' ' ' GLY . 4.7 tmm_? -49.63 -42.94 46.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.555 179.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.54 -36.77 81.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.529 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -77.22 -50.25 13.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.549 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' A' ' 48' ' ' THR . 9.9 mp -78.86 -3.77 46.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.53 178.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.88 20.37 0.03 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.984 -0.846 . . . . 1.0 110.984 178.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.554 ' N ' ' O ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -71.88 136.0 46.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.77 0.319 . . . . 1.0 110.613 179.469 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' A' ' 70' ' ' GLY . 52.5 m-20 -55.33 -39.86 70.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.587 -177.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.622 HH12 ' HZ2' ' A' ' 52' ' ' LYS . 68.5 ttp85 -140.45 124.13 17.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.028 0.442 . . . . 1.0 111.025 -176.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.7 p -145.3 136.68 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.861 -0.609 . . . . 1.0 109.841 176.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.622 ' HZ2' HH12 ' A' ' 50' ' ' ARG . 23.8 pttm -145.52 163.79 33.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.042 0.449 . . . . 1.0 111.236 -177.253 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.2 p -108.23 138.68 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.669 -0.696 . . . . 1.0 109.828 178.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.433 ' CZ ' ' HA3' ' A' ' 62' ' ' GLY . 18.7 t80 -119.9 119.76 34.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.904 0.383 . . . . 1.0 111.222 -178.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.523 HH12 ' CD2' ' A' ' 31' ' ' LEU . 26.8 mmm-85 -93.63 162.56 13.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.966 -0.561 . . . . 1.0 109.899 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -131.66 145.72 51.81 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.744 -0.383 . . . . 1.0 110.944 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 61' ' ' HIS . 10.8 m-20 -117.78 136.27 23.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.298 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -45.17 -29.11 3.92 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.728 2.286 . . . . 1.0 112.065 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -74.2 -7.39 52.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.371 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.73 19.75 28.5 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.825 -0.91 . . . . 1.0 110.825 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.511 ' O ' ' N ' ' A' ' 57' ' ' ASP . 92.5 m-70 -116.05 140.01 49.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 1.0 110.715 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.435 ' O ' ' OG1' ' A' ' 81' ' ' THR . . . -135.45 157.3 23.13 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.644 -0.983 . . . . 1.0 110.644 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 70.9 p -140.03 159.03 43.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 1.0 110.738 -178.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.3 t -100.98 113.95 38.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.231 176.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 23.3 m -102.05 3.43 10.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.88 -176.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -158.72 146.01 17.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.938 0.399 . . . . 1.0 110.913 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.532 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 88.7 tt0 -167.27 126.11 1.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.279 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -122.87 130.48 52.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.803 178.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.455 ' HA ' ' O ' ' A' ' 49' ' ' ASP . 79.1 mtm180 -109.82 141.04 43.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.462 -179.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -91.77 -103.54 1.4 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.24 1.23 6.83 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.771 -0.932 . . . . 1.0 110.771 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.429 ' H ' ' C ' ' A' ' 70' ' ' GLY . 92.3 mt-10 58.52 62.57 1.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.785 0.326 . . . . 1.0 110.536 179.434 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.499 ' NH2' ' O ' ' A' ' 147' ' ' GLY . 5.6 ptm180 -86.52 -52.22 5.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.518 178.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.454 ' H ' ' HG3' ' A' ' 73' ' ' ARG . 14.3 mt -99.69 146.31 31.62 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.545 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -54.68 173.99 0.22 Allowed 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.678 2.252 . . . . 1.0 112.087 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.6 p -88.33 129.41 35.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.711 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.485 ' O ' ' C ' ' A' ' 78' ' ' LEU . 28.0 mt -103.62 -19.55 14.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.433 -178.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.532 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 22.5 tp -33.56 136.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.513 -177.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.87 0.37 66.4 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.854 -0.898 . . . . 1.0 110.854 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 mt -88.96 126.0 35.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.719 0.295 . . . . 1.0 110.571 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 62' ' ' GLY . 8.8 t -100.1 128.82 46.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.619 177.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.502 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 8.3 m-85 -105.39 143.73 27.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.503 -179.055 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -78.86 147.64 21.65 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.875 2.383 . . . . 1.0 112.141 178.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.73 -35.7 68.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.604 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.08 -23.83 4.14 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -55.24 -31.79 61.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.838 0.351 . . . . 1.0 110.55 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 24.8 mt -125.29 131.5 24.08 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.542 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.91 -103.46 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.836 2.357 . . . . 1.0 112.159 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -164.43 -54.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.566 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -46.46 -37.68 8.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.571 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.06 -48.64 57.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.553 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -56.4 -22.74 33.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.553 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 68.8 mtp85 -67.41 -48.57 66.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.471 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 98' ' ' ALA . 23.4 mt -46.35 -54.08 9.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.478 -178.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -60.24 -26.1 66.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.743 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -86.0 -20.53 28.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.733 179.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.8 mp -105.47 -48.91 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.255 -178.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -95.67 -16.64 21.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.47 -175.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.488 ' C ' ' O ' ' A' ' 98' ' ' ALA . 89.1 mt-30 34.51 63.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.355 178.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.457 ' CG2' ' N ' ' A' ' 101' ' ' ARG . 26.4 m -113.18 -48.19 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.811 176.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.457 ' N ' ' CG2' ' A' ' 100' ' ' VAL . 1.3 mtt180 58.38 63.99 1.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.24 174.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.19 123.08 14.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.606 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.4 HG22 HD12 ' A' ' 103' ' ' ILE . 97.1 mt -110.57 130.14 64.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.723 178.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.5 m -81.56 169.17 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.306 -177.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.418 ' C ' ' H ' ' A' ' 107' ' ' GLU . 83.9 m-20 -51.96 123.2 9.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.427 -178.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 26.4 m -57.67 -8.69 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.518 178.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.418 ' H ' ' C ' ' A' ' 105' ' ' ASP . 1.9 pp20? -75.53 -33.84 60.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.36 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.42 -15.87 51.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.389 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 50.31 59.99 4.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.673 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.2 m -88.02 140.12 29.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.399 175.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -121.11 131.58 54.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.85 -177.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.201 177.948 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.757 0.313 . . . . 1.0 110.447 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.94 119.82 12.77 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.632 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.85 144.14 18.96 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.716 2.277 . . . . 1.0 112.025 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.533 ' CG2' ' CD2' ' A' ' 139' ' ' HIS . 0.0 OUTLIER -126.96 134.66 65.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.526 -179.758 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.432 ' C ' ' H ' ' A' ' 138' ' ' CYS . 1.1 p30 -45.72 155.33 0.49 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.463 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -49.57 -12.02 0.3 Allowed 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.855 2.37 . . . . 1.0 111.91 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . 0.432 ' H ' ' C ' ' A' ' 136' ' ' ASP . 0.1 OUTLIER -57.98 -41.97 84.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.428 179.407 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.533 ' CD2' ' CG2' ' A' ' 135' ' ' VAL . 0.2 OUTLIER -82.38 -28.1 31.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.271 -178.799 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 40.7 t -51.61 -63.57 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.517 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -64.52 -43.56 93.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.456 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -47.27 -54.14 11.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.484 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.453 ' CD1' ' ND1' ' A' ' 139' ' ' HIS . 96.9 mt -66.82 -52.12 47.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.437 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 44.2 tptt -53.52 -40.96 65.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.413 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.9 t -53.96 -24.26 15.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.527 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 49.4 mtt -93.24 -1.69 55.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.395 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . 0.499 ' O ' ' NH2' ' A' ' 73' ' ' ARG . . . 71.51 25.97 74.15 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 179.171 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.518 ' CG1' ' O ' ' A' ' 148' ' ' VAL . 5.0 p -110.44 120.38 61.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.775 0.322 . . . . 1.0 110.701 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -84.16 -33.26 24.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.264 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 26.7 t -106.79 146.7 30.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.146 -178.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 2.0 t -148.41 119.34 7.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.917 0.389 . . . . 1.0 111.054 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 52.5 tp -112.45 117.7 33.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.98 -0.554 . . . . 1.0 109.999 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.417 ' CG2' ' N ' ' A' ' 154' ' ' VAL . 2.0 p -100.64 153.02 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.036 0.446 . . . . 1.0 111.202 -178.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.548 ' O ' ' HB3' ' A' ' 166' ' ' LEU . 43.8 t -155.3 100.42 2.28 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 115.714 -0.676 . . . . 1.0 109.983 -178.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -78.37 151.04 25.84 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.944 2.429 . . . . 1.0 112.693 -178.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 38.7 mt -117.41 97.53 5.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.2 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 21.8 ptm -115.81 137.18 52.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.756 -178.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . 0.44 ' O ' ' HB3' ' A' ' 159' ' ' HIS . 45.8 t60 -113.78 122.92 48.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.405 177.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.44 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 78.3 t60 69.25 -109.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.376 -178.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -120.27 2.27 10.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.423 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -115.35 157.18 24.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.578 -176.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 14.6 tp -104.8 123.59 47.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.422 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' TRP . . . . . 0.417 ' CH2' ' OE2' ' A' ' 199' ' ' GLU . 98.9 m95 -102.45 -38.68 7.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.837 -177.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -148.26 178.92 25.53 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.216 -0.754 . . . . 1.0 111.216 -178.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 54' ' ' TYR . 2.1 tp -143.92 130.63 20.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.741 0.305 . . . . 1.0 110.425 -179.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.548 ' HB3' ' O ' ' A' ' 154' ' ' VAL . 4.3 tp -106.98 145.79 31.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.601 178.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 46.6 t -153.78 139.28 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.721 -177.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 16.4 m -120.2 141.08 50.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.362 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -135.5 137.6 42.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.772 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . 0.765 ' CD2' ' N ' ' A' ' 171' ' ' ALA . 24.8 t60 -170.84 166.13 7.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.509 -178.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.765 ' N ' ' CD2' ' A' ' 170' ' ' HIS . . . -51.97 -165.73 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.597 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -114.5 92.37 28.14 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.58 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -86.58 -62.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.859 2.373 . . . . 1.0 112.095 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 59.4 mtm-85 -147.41 153.91 44.64 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.496 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -49.03 177.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.785 2.323 . . . . 1.0 112.036 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -82.23 115.19 21.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.663 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 31.1 t -76.95 122.62 25.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.529 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -65.9 -30.9 71.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.534 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -64.44 -57.27 9.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.456 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.29 -29.45 67.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.454 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 17.3 tp -47.31 -58.2 4.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.376 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -60.71 -52.08 66.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.309 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 59.8 t -43.44 -48.52 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.189 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 86.6 t -74.98 -35.85 36.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.2 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -49.17 -41.59 37.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.094 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 53.0 mt -73.09 -33.71 65.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.042 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 20.0 tp -57.11 -31.21 65.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.084 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -72.6 -39.84 67.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.125 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -57.0 -40.09 75.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.152 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . 0.4 ' O ' ' OE1' ' A' ' 190' ' ' GLN . 0.7 OUTLIER -53.49 -55.4 25.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.173 179.709 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 81.9 t -56.25 -42.2 72.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.118 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 6.9 t -49.15 -34.47 14.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.056 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.6 mp -79.76 -33.06 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.148 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -70.27 -47.64 60.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.259 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 18.8 tt -63.96 -33.2 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.291 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . 0.439 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.5 -54.44 7.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.392 179.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -58.75 -26.22 63.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.358 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -74.95 -36.5 62.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.496 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . 0.417 ' OE2' ' CH2' ' A' ' 163' ' ' TRP . 84.8 tt0 -55.61 -39.0 70.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.456 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 39.2 tp -63.6 -59.01 5.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.486 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 23.2 t -59.33 -45.8 90.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.495 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 13.9 tp . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.949 -1.024 . . . . 1.0 110.567 179.817 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.6 tp . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.776 0.322 . . . . 1.0 110.521 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -57.37 -32.88 67.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.534 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -76.49 -49.48 16.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.519 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.542 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.4 mp -62.07 -32.96 56.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.589 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.48 ' O ' HG21 ' A' ' 38' ' ' THR . 92.0 mt -78.73 -20.04 50.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.637 -179.264 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.444 ' O ' HG13 ' A' ' 39' ' ' VAL . 69.9 ttt180 -74.35 -34.11 63.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.563 178.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.59 -33.75 23.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.565 -178.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.556 ' CG2' ' N ' ' A' ' 39' ' ' VAL . 2.7 t -66.33 -44.85 82.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.588 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.556 ' N ' ' CG2' ' A' ' 38' ' ' THR . 4.6 p -56.31 -36.41 46.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.593 178.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -70.58 -39.12 74.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.602 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -63.2 -51.14 67.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.544 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.0 t -56.93 -51.5 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.527 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.549 ' O ' ' N ' ' A' ' 47' ' ' GLY . 30.7 ttp180 -47.16 -43.17 20.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.577 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.72 -37.58 82.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.458 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -76.18 -51.46 12.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.568 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.538 ' O ' ' N ' ' A' ' 48' ' ' THR . 18.2 mt -79.56 -1.11 36.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.587 179.276 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 41.44 21.44 0.06 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 178.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.538 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.2 m -74.5 137.39 42.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.841 0.353 . . . . 1.0 110.537 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.404 ' O ' ' HA ' ' A' ' 69' ' ' ARG . 76.1 m-20 -69.34 -20.19 63.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.624 -176.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.549 ' NH2' ' SD ' ' A' ' 146' ' ' MET . 62.6 ttp180 -148.76 119.07 7.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.018 0.437 . . . . 1.0 111.017 -178.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.5 p -147.0 135.3 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.828 -0.624 . . . . 1.0 109.87 176.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.5 pttt -144.54 153.92 42.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.022 0.439 . . . . 1.0 111.258 -177.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.7 p -96.66 136.7 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.668 -0.696 . . . . 1.0 109.889 177.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.407 ' CZ ' ' HA3' ' A' ' 62' ' ' GLY . 18.1 t80 -120.3 119.89 34.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.935 0.398 . . . . 1.0 111.257 -177.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -95.53 164.31 12.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.988 -0.551 . . . . 1.0 109.89 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -131.3 144.51 51.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.994 0.426 . . . . 1.0 110.827 -178.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 61' ' ' HIS . 17.6 m-20 -115.55 135.05 22.57 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.319 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -45.22 -28.38 3.55 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.712 2.275 . . . . 1.0 112.03 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -75.11 -6.68 50.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.437 -178.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.31 18.99 31.62 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.787 -0.925 . . . . 1.0 110.787 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.479 ' O ' ' N ' ' A' ' 57' ' ' ASP . 76.0 m80 -114.29 139.11 49.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.914 0.387 . . . . 1.0 110.646 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.407 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -132.24 153.55 20.62 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.652 -0.979 . . . . 1.0 110.652 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 63.9 p -138.99 158.73 43.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.771 0.32 . . . . 1.0 110.813 -178.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.6 t -102.44 116.79 46.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.238 175.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.3 m -106.44 2.65 10.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.809 -175.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -157.43 146.43 19.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.887 0.375 . . . . 1.0 110.915 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 87.3 tt0 -169.64 127.99 0.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.29 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.65 151.44 51.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.765 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.548 ' O ' ' NH1' ' A' ' 43' ' ' ARG . 0.6 OUTLIER -137.38 145.87 43.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.441 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -93.18 23.71 28.37 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 177.07 -114.02 0.45 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.786 -0.926 . . . . 1.0 110.786 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -178.17 38.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.875 0.369 . . . . 1.0 110.619 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -75.36 -57.46 3.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.458 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 30.5 mt -91.65 146.5 33.26 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.541 177.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -68.44 166.68 24.76 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.793 2.329 . . . . 1.0 112.06 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 57.5 p -92.47 138.61 31.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.68 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.0 mt -114.12 -10.15 12.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.467 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.404 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 22.8 tp -41.41 137.35 1.51 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.561 -178.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.0 -0.18 72.31 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.8 tp -94.3 130.21 40.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.327 . . . . 1.0 110.553 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.8 p -99.89 130.34 46.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.585 178.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.469 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 13.9 m-85 -103.71 147.08 33.7 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.526 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -78.98 145.45 19.63 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.811 2.341 . . . . 1.0 112.159 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.6 -38.24 80.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.654 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.74 -21.43 4.9 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -61.38 -29.72 70.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 1.0 110.601 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.542 ' O ' ' O ' ' A' ' 88' ' ' PRO . 44.5 mm -112.77 99.11 47.08 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.472 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.542 ' O ' ' O ' ' A' ' 87' ' ' ILE . 76.2 Cg_exo -47.93 -122.61 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.807 2.338 . . . . 1.0 112.214 178.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -154.18 -47.95 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.573 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -60.24 -38.42 83.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.544 -178.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.98 -39.42 79.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.573 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.537 HH21 ' CG2' ' A' ' 87' ' ' ILE . 29.9 ttm180 -68.74 -23.83 64.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.562 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' ' 97' ' ' LEU . 27.1 mmt180 -59.84 -54.16 49.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.531 -178.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 98' ' ' ALA . 23.4 mt -51.03 -38.58 52.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.472 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.428 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 7.9 m-85 -67.0 -35.4 79.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.742 178.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 73.5 mtm-85 -87.29 -17.2 33.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.716 178.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 93' ' ' ARG . 5.8 tp -101.37 -49.07 4.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.248 -177.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -102.78 -13.0 17.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.416 -176.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.501 ' C ' ' O ' ' A' ' 98' ' ' ALA . 90.5 mt-30 33.78 64.89 0.32 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.394 178.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.57 ' CG1' ' N ' ' A' ' 101' ' ' ARG . 9.9 p -98.91 -50.63 10.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.827 177.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.57 ' N ' ' CG1' ' A' ' 100' ' ' VAL . 1.5 mtm105 62.22 52.89 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.302 172.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.437 HG11 ' O ' ' A' ' 100' ' ' VAL . 13.1 m -148.75 126.91 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.66 178.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.471 ' CD1' ' N ' ' A' ' 103' ' ' ILE . 1.9 mp -108.92 134.68 50.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.741 177.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.481 ' CG2' ' N ' ' A' ' 105' ' ' ASP . 12.5 p -80.35 169.22 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.282 -177.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.481 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 3.5 m-20 -47.64 120.63 3.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.466 -178.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.7 p -59.67 -14.31 6.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.495 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.403 ' C ' ' H ' ' A' ' 109' ' ' GLN . 3.8 pt-20 -80.0 -31.55 39.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.302 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.66 -10.92 1.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.356 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.729 HE21 HH21 ' A' ' 111' ' ' ARG . 54.3 tt0 50.8 62.59 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.648 179.049 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.44 135.13 33.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.357 174.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.729 HH21 HE21 ' A' ' 109' ' ' GLN . 98.1 mtt180 -117.62 127.96 54.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.825 -176.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.409 ' O ' ' CG ' ' A' ' 136' ' ' ASP . 11.0 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.244 176.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.764 0.316 . . . . 1.0 110.445 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.477 ' HE ' ' HA ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -131.7 87.33 46.0 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.628 -179.103 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_exo -49.28 141.48 24.11 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.827 2.351 . . . . 1.0 111.947 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 12.2 m -125.96 135.17 64.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.508 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 112' ' ' SER . 1.5 m-20 -43.5 151.31 0.47 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.454 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -46.77 -16.24 0.26 Allowed 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.891 2.394 . . . . 1.0 111.918 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.54 -47.83 82.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.453 178.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.507 ' CE1' ' CD1' ' A' ' 143' ' ' LEU . 15.5 t-80 -77.15 -30.17 54.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.262 -178.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 53.8 t -50.59 -65.92 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.519 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -60.26 -39.32 86.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.457 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -46.72 -49.91 18.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.478 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.507 ' CD1' ' CE1' ' A' ' 139' ' ' HIS . 88.2 mt -67.58 -51.44 50.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.386 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -57.65 -40.66 79.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.46 -178.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 24.3 t -55.89 -28.54 57.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.459 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' MET . . . . . 0.549 ' SD ' ' NH2' ' A' ' 50' ' ' ARG . 28.6 mtt -91.07 -0.16 57.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.435 177.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 68.85 24.89 75.55 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 170' ' ' HIS . 4.9 t -108.62 123.02 64.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.754 0.312 . . . . 1.0 110.639 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -83.36 -36.75 24.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.289 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 49.5 m -103.83 149.96 24.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.069 -177.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.3 p -145.07 109.13 4.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.915 0.388 . . . . 1.0 111.104 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 49.3 tp -105.07 134.31 48.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.015 178.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 9.9 p -129.13 153.28 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.063 0.459 . . . . 1.0 111.222 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.403 ' O ' ' HB3' ' A' ' 166' ' ' LEU . 88.1 t -153.67 81.42 4.86 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 115.673 -0.694 . . . . 1.0 109.909 -178.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -52.49 151.14 19.14 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.932 2.422 . . . . 1.0 112.686 -177.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 29.4 mt -116.57 96.82 5.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.209 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 17.7 ptm -110.42 135.88 50.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.796 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . 0.624 ' CD2' ' CE1' ' A' ' 159' ' ' HIS . 20.1 t60 -113.36 125.28 54.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.354 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.624 ' CE1' ' CD2' ' A' ' 158' ' ' HIS . 4.4 m-70 64.72 -110.58 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.352 -178.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -119.22 2.06 11.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.425 -179.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -115.01 165.26 13.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.617 -177.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 12.2 tp -105.35 119.84 40.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.421 177.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' TRP . . . . . 0.406 ' CD1' ' N ' ' A' ' 163' ' ' TRP . 32.8 m95 -103.0 -41.8 6.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.863 -177.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -141.9 173.77 23.46 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.2 -0.76 . . . . 1.0 111.2 -178.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 3.9 tp -145.61 129.97 17.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.79 0.329 . . . . 1.0 110.405 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.403 ' HB3' ' O ' ' A' ' 154' ' ' VAL . 21.4 tp -103.33 146.66 28.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.617 178.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 14.7 p -150.96 139.0 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.772 -179.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.6 143.27 50.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.381 178.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' HIS . . . . . 0.575 ' ND1' ' N ' ' A' ' 169' ' ' HIS . 0.0 OUTLIER -138.7 132.91 31.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.824 -179.659 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . 0.743 ' CD2' ' H ' ' A' ' 171' ' ' ALA . 17.3 t-80 -170.69 168.8 7.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.443 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.743 ' H ' ' CD2' ' A' ' 170' ' ' HIS . . . -52.1 -163.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.599 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -115.62 82.85 10.5 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.589 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -86.24 71.55 4.08 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.849 2.366 . . . . 1.0 112.118 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 53.1 mtt-85 63.49 150.7 0.11 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.491 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -48.35 169.94 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.791 2.328 . . . . 1.0 112.029 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -113.0 148.94 34.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.591 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 69.4 p -95.18 138.83 32.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.525 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -68.27 -31.4 70.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.598 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -60.22 -46.72 88.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.482 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -70.53 -29.7 66.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.465 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 31.7 tp -61.2 -31.9 71.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.428 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -70.68 -53.7 14.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.335 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 59.4 t -42.6 -47.84 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.145 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 187' ' ' LEU . 27.1 m -75.41 -35.49 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.192 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.551 ' OE1' ' NH1' ' A' ' 101' ' ' ARG . 51.0 tp60 -46.74 -39.03 10.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.076 178.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 11.0 mp -72.83 -34.7 67.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.073 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 184' ' ' VAL . 25.7 tp -55.99 -34.52 65.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.123 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -75.78 -36.92 59.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.098 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -54.92 -39.89 69.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.146 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -53.57 -51.4 63.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.163 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 84.4 t -54.24 -42.57 57.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.009 -0.542 . . . . 1.0 110.189 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 4.8 t -49.5 -36.37 22.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.093 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.7 mp -80.7 -31.66 12.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.165 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -69.77 -47.43 62.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.303 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 2.2 pp -65.52 -33.51 64.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.238 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . 0.482 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.77 -55.51 5.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.356 178.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -57.18 -25.61 59.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.342 178.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -75.01 -35.77 61.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.455 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -53.54 -39.47 64.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.417 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 42.9 tp -56.26 -63.64 1.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.499 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 85.6 p -62.47 -46.88 86.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.504 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 14.2 tp . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.029 -0.986 . . . . 1.0 110.491 179.774 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.2 tp . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.827 0.346 . . . . 1.0 110.553 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -67.43 -31.75 72.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.555 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -76.85 -53.57 7.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.556 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.3 tp -59.58 -30.18 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.577 -178.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.645 ' CD1' HH22 ' A' ' 55' ' ' ARG . 76.6 mt -76.42 -26.01 55.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.617 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.464 ' O ' HG12 ' A' ' 39' ' ' VAL . 38.6 ttp180 -61.83 -37.02 82.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.559 179.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.81 -26.09 37.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.605 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 72.3 p -68.97 -47.14 66.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.623 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' A' ' 51' ' ' VAL . 3.8 p -55.16 -38.78 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.656 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.455 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 97.5 mt-10 -75.39 -40.06 58.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.574 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -64.7 -51.16 63.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.513 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.2 t -61.52 -53.61 46.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.529 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 47' ' ' GLY . 2.2 tmm_? -47.39 -39.35 15.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.59 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.98 -36.64 77.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.577 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -76.71 -47.66 21.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.6 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.569 ' O ' ' N ' ' A' ' 48' ' ' THR . 9.5 mp -77.82 -2.53 36.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.533 177.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.83 19.56 0.02 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.569 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.5 m -72.39 138.33 47.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.807 0.337 . . . . 1.0 110.595 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.606 ' CB ' ' HE ' ' A' ' 73' ' ' ARG . 77.3 m-20 -54.6 -40.39 68.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.642 -177.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.462 ' HA ' ' O ' ' A' ' 68' ' ' ALA . 49.7 ttp180 -139.09 126.81 21.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.012 0.434 . . . . 1.0 110.971 -176.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.466 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 4.8 t -142.47 133.8 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.812 -0.631 . . . . 1.0 109.85 176.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 46.9 pttt -144.0 159.77 42.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.092 0.473 . . . . 1.0 111.178 -178.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.4 p -110.25 139.49 33.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.669 -0.696 . . . . 1.0 109.856 178.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.433 ' CZ ' ' HA3' ' A' ' 62' ' ' GLY . 11.2 t80 -123.79 123.26 40.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.916 0.389 . . . . 1.0 111.184 -177.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.645 HH22 ' CD1' ' A' ' 35' ' ' LEU . 30.9 ttm-85 -95.14 163.67 13.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.927 -0.579 . . . . 1.0 109.932 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.423 ' H ' ' HG2' ' A' ' 55' ' ' ARG . 83.2 t80 -129.74 145.68 51.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.943 0.401 . . . . 1.0 110.822 -178.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 61' ' ' HIS . 18.3 t70 -117.26 135.37 23.13 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.291 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -45.1 -28.33 3.28 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.711 2.274 . . . . 1.0 112.072 179.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -74.27 -5.61 43.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.436 -178.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.41 17.11 43.71 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.789 -0.924 . . . . 1.0 110.789 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.487 ' O ' ' N ' ' A' ' 57' ' ' ASP . 95.6 m-70 -117.25 143.78 45.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 1.0 110.693 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.433 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -138.46 160.98 25.67 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.595 -1.002 . . . . 1.0 110.595 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 75.0 p -139.71 159.43 42.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.82 0.343 . . . . 1.0 110.733 -178.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.3 t -99.45 115.81 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.207 176.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 23.5 m -101.94 3.92 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.898 -177.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -162.83 149.39 12.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.387 . . . . 1.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.51 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 88.0 tt0 -167.34 128.92 1.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.268 -178.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.462 ' O ' ' HA ' ' A' ' 50' ' ' ARG . . . -118.22 150.14 39.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.815 176.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.5 ptt-85 -137.06 142.64 42.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.508 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.511 ' C ' ' H ' ' A' ' 72' ' ' GLU . . . -96.12 -108.34 2.39 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.33 2.22 2.44 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.774 -0.93 . . . . 1.0 110.774 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.511 ' H ' ' C ' ' A' ' 70' ' ' GLY . 68.2 tt0 63.3 55.18 1.89 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.745 0.307 . . . . 1.0 110.571 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.606 ' HE ' ' CB ' ' A' ' 49' ' ' ASP . 7.5 ptp180 -84.81 -16.56 41.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.527 177.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.7 mt -136.49 128.8 17.32 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.513 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -49.29 172.41 0.06 OUTLIER 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.801 2.334 . . . . 1.0 112.07 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.8 p -88.85 122.66 32.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.743 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 41.0 mt -96.38 -7.66 34.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.459 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.51 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 6.0 tp -45.74 135.1 7.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.517 -178.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.52 -0.29 74.06 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.856 -0.897 . . . . 1.0 110.856 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.9 tp -93.83 128.86 40.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.847 0.356 . . . . 1.0 110.53 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.1 t -95.45 125.95 40.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.652 178.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -95.84 144.67 28.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.497 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -81.41 132.89 8.24 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.896 2.397 . . . . 1.0 112.14 178.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -46.49 -35.07 5.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.648 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.95 -24.36 6.3 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.969 -0.852 . . . . 1.0 110.969 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -48.82 -25.77 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 1.0 110.584 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.411 HD12 HG22 ' A' ' 87' ' ' ILE . 3.0 pt -130.52 136.05 28.35 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.583 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.52 -107.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.869 2.379 . . . . 1.0 112.102 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.507 ' O ' ' NH1' ' A' ' 93' ' ' ARG . 23.1 pt-20 -166.68 -29.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.535 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 91' ' ' ALA . 11.4 pt-20 -73.14 -45.25 57.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.571 -179.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.474 ' N ' ' CG ' ' A' ' 90' ' ' GLU . . . -59.24 -31.81 69.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.549 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -70.43 -22.88 62.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.527 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.528 ' O ' ' N ' ' A' ' 97' ' ' LEU . 72.6 mmt-85 -56.24 -59.81 4.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.506 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.436 ' CD1' ' CZ ' ' A' ' 133' ' ' ARG . 15.4 mt -54.69 -36.54 64.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.548 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.572 ' O ' ' NH1' ' A' ' 101' ' ' ARG . 8.9 m-85 -65.9 -52.27 51.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.702 179.133 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -76.17 -18.04 59.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.674 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 93' ' ' ARG . 25.1 tp -91.07 -46.89 7.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.28 -178.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 99' ' ' GLN . . . -103.78 -39.73 6.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.361 -176.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.435 ' CG ' ' O ' ' A' ' 95' ' ' PHE . 94.8 mt-30 63.91 68.76 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.308 177.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.621 ' C ' ' HG2' ' A' ' 101' ' ' ARG . 15.4 m -107.49 -42.48 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.819 176.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.621 ' HG2' ' C ' ' A' ' 100' ' ' VAL . 0.1 OUTLIER 62.34 55.67 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.328 175.149 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 69.2 t -148.61 125.46 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.615 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.4 ' CD1' ' N ' ' A' ' 103' ' ' ILE . 1.7 mp -109.49 137.05 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.739 176.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.481 ' CG2' ' N ' ' A' ' 105' ' ' ASP . 12.8 p -79.52 168.97 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.302 -178.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.481 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 3.5 m-20 -48.41 124.05 7.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.4 -178.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.2 m -63.61 -14.01 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.535 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.453 ' C ' ' H ' ' A' ' 109' ' ' GLN . 2.8 pt-20 -79.89 -30.98 40.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.321 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.45 -7.92 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.319 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.453 ' H ' ' C ' ' A' ' 107' ' ' GLU . 90.3 mt-30 48.08 59.35 4.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.718 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.83 138.98 30.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.363 175.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -122.26 133.07 54.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.78 -176.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.483 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 1.2 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.185 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.83 0.348 . . . . 1.0 110.459 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.436 ' CZ ' ' CD1' ' A' ' 94' ' ' LEU . 6.3 mmm180 -135.29 92.49 17.77 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.713 -179.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -51.21 145.36 26.85 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.778 2.319 . . . . 1.0 112.003 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.58 ' CG2' ' ND1' ' A' ' 139' ' ' HIS . 34.5 m -126.48 135.48 63.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.581 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.483 ' HA ' ' H ' ' A' ' 112' ' ' SER . 0.0 OUTLIER -41.86 156.65 0.22 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.467 179.503 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -57.07 -47.02 24.86 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.82 2.346 . . . . 1.0 111.897 -178.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -49.8 -25.46 3.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.351 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.58 ' ND1' ' CG2' ' A' ' 135' ' ' VAL . 42.5 t-80 -87.83 -42.94 12.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.254 176.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 59.3 t -49.93 -49.32 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.557 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -65.72 -39.63 91.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.461 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -46.15 -49.61 16.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.405 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.441 ' CD2' ' HE2' ' A' ' 169' ' ' HIS . 96.0 mt -68.91 -48.42 63.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.418 178.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -57.13 -41.62 79.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.492 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 28.1 t -53.17 -27.5 21.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.521 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 46.1 mtt -88.99 2.94 53.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.455 178.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 67.87 22.11 73.66 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 4.4 t -107.1 118.32 54.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.783 0.325 . . . . 1.0 110.708 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -79.96 -34.29 38.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.251 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' SER . . . . . 0.456 ' OG ' ' OH ' ' A' ' 176' ' ' TYR . 30.7 t -108.8 143.44 37.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.074 -178.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 12.5 p -138.48 106.15 5.61 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.696 -0.402 . . . . 1.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 56.4 tp -98.45 126.26 43.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.99 -0.55 . . . . 1.0 109.973 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.448 HG22 ' N ' ' A' ' 154' ' ' VAL . 10.6 p -120.99 147.15 25.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.058 0.456 . . . . 1.0 111.19 -179.163 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.448 ' N ' HG22 ' A' ' 153' ' ' VAL . 2.2 t -151.55 75.03 7.92 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 115.736 -0.665 . . . . 1.0 110.024 -177.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -49.56 154.62 4.24 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.948 2.432 . . . . 1.0 112.696 -177.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 58.0 mt -117.53 100.25 7.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.183 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 16.2 ptm -114.31 135.88 53.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.751 -178.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . 0.623 ' ND1' ' NE2' ' A' ' 159' ' ' HIS . 3.5 t-80 -116.76 124.66 50.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.397 177.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.623 ' NE2' ' ND1' ' A' ' 158' ' ' HIS . 63.2 m-70 70.55 -110.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.443 -178.208 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -121.34 0.41 10.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.41 -178.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -116.61 165.22 13.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.541 -177.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 4.0 mp -105.08 121.53 43.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.478 178.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' TRP . . . . . 0.437 ' CE3' ' OE2' ' A' ' 199' ' ' GLU . 79.1 m95 -103.28 -41.5 6.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.901 -177.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -138.31 -178.81 16.51 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.241 -0.744 . . . . 1.0 111.241 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.2 tp -149.18 126.11 11.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.703 0.287 . . . . 1.0 110.441 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 12.1 tp -105.93 142.99 34.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.597 177.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 71.0 t -152.46 146.43 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.78 -177.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.488 ' O ' ' ND1' ' A' ' 169' ' ' HIS . 1.1 m -128.46 138.58 52.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.354 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' HIS . . . . . 0.488 ' ND1' ' O ' ' A' ' 168' ' ' SER . 0.3 OUTLIER -133.89 140.07 46.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.762 -179.252 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . 0.531 ' O ' ' O ' ' A' ' 171' ' ' ALA . 1.1 p-80 -173.7 172.74 3.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.487 -178.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.531 ' O ' ' O ' ' A' ' 170' ' ' HIS . . . -51.85 -160.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.56 178.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . 0.564 ' OE1' ' N ' ' A' ' 172' ' ' GLU . 0.0 OUTLIER -114.48 82.32 7.61 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.568 179.315 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . 0.449 ' O ' ' O ' ' A' ' 174' ' ' ARG . 94.1 Cg_endo -84.52 73.78 4.42 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.834 2.356 . . . . 1.0 112.069 178.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' A' ' 173' ' ' PRO . 57.9 mtt85 56.87 154.63 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.446 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -48.45 170.02 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.795 2.33 . . . . 1.0 112.045 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 176' ' ' TYR . . . . . 0.456 ' OH ' ' OG ' ' A' ' 150' ' ' SER . 0.1 OUTLIER -109.27 143.92 38.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.592 179.457 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 33.1 t -92.1 136.08 33.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.58 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -66.75 -38.38 86.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.546 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -60.33 -53.25 59.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.492 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -65.1 -31.51 72.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.46 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 26.5 tp -60.56 -41.26 94.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.384 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -57.99 -53.13 61.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.314 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 57.8 t -43.9 -46.67 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.156 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 187' ' ' LEU . 77.3 t -74.19 -38.66 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.21 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -47.03 -38.77 11.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.051 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 57.9 mt -73.72 -32.99 64.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.027 178.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 184' ' ' VAL . 24.3 tp -56.38 -32.62 64.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.116 179.105 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -74.6 -39.58 62.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.049 178.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . 0.453 ' O ' ' OG ' ' A' ' 192' ' ' SER . 91.4 m-20 -56.37 -41.54 76.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.182 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . 0.408 ' O ' ' OE1' ' A' ' 190' ' ' GLN . 0.7 OUTLIER -53.33 -55.1 27.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.121 178.865 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 194' ' ' ALA . 97.2 t -53.51 -41.8 46.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.092 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 192' ' ' SER . . . . . 0.453 ' OG ' ' O ' ' A' ' 189' ' ' ASP . 3.8 p -47.83 -30.31 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.114 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . 0.45 HG21 ' N ' ' A' ' 194' ' ' ALA . 1.1 tp -80.65 -32.56 13.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.172 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . 0.45 ' N ' HG21 ' A' ' 193' ' ' ILE . . . -71.14 -46.13 62.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.299 -179.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 16.7 tt -65.18 -33.15 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.26 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . 0.419 ' HB3' ' CD2' ' A' ' 158' ' ' HIS . . . -75.83 -56.23 4.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.326 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -57.63 -24.71 57.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.363 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -73.96 -37.58 64.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.414 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . 0.437 ' OE2' ' CE3' ' A' ' 163' ' ' TRP . 91.0 mt-10 -53.46 -39.13 64.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.414 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . 0.445 ' CD1' ' N ' ' A' ' 200' ' ' LEU . 9.7 mp -56.97 -64.41 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.544 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 22.9 t -73.26 -63.87 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.436 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 19.3 mt . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.934 -1.031 . . . . 1.0 110.532 -179.662 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.404 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 7.8 tp . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.839 0.352 . . . . 1.0 110.645 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.0 p-10 -70.45 -31.77 69.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.597 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -79.12 -47.12 16.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.511 -178.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.9 tp -66.98 -27.94 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.55 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.584 ' O ' HG21 ' A' ' 38' ' ' THR . 82.3 mt -80.02 -22.97 41.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.623 -179.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -75.53 -35.13 60.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.538 178.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.48 -32.71 32.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.631 -177.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.584 HG21 ' O ' ' A' ' 35' ' ' LEU . 5.4 t -64.47 -45.04 89.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.624 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.54 ' N ' ' CG2' ' A' ' 38' ' ' THR . 53.9 t -58.57 -39.15 74.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.666 178.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.81 -38.22 76.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.588 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -62.59 -45.15 94.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.463 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.6 t -64.73 -40.31 88.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.525 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.567 ' O ' ' N ' ' A' ' 47' ' ' GLY . 61.9 ttp85 -51.77 -47.61 64.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.515 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.11 -36.03 76.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.513 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -79.03 -52.82 7.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.531 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 48' ' ' THR . 1.1 tp -78.93 -4.19 48.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.597 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.567 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 42.65 21.01 0.08 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 177.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.573 ' OG1' ' ND1' ' A' ' 170' ' ' HIS . 6.8 t -74.39 137.38 42.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.783 0.325 . . . . 1.0 110.626 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 50' ' ' ARG . 16.9 p30 -72.03 -14.91 62.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.564 -176.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.533 ' NH2' ' O ' ' A' ' 75' ' ' PRO . 14.7 ttt180 -151.77 118.05 5.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.977 0.417 . . . . 1.0 111.049 -178.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 p -153.64 137.37 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.913 -0.585 . . . . 1.0 109.905 176.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.632 ' HZ1' ' CE1' ' A' ' 169' ' ' HIS . 11.7 pttm -147.26 160.39 42.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.003 0.43 . . . . 1.0 111.299 -178.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.1 p -97.43 138.68 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.741 -0.663 . . . . 1.0 109.882 178.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.428 ' O ' ' N ' ' A' ' 165' ' ' LEU . 30.5 t80 -121.03 118.78 30.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.91 0.386 . . . . 1.0 111.264 -177.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -95.83 162.03 13.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.961 -0.563 . . . . 1.0 109.885 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.525 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 89.4 t80 -128.85 145.61 51.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.902 0.382 . . . . 1.0 110.892 -178.136 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.525 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 24.3 m-20 -115.45 148.25 40.51 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.256 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -60.52 -21.83 69.85 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.673 2.249 . . . . 1.0 112.056 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -80.34 -6.16 57.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.447 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.36 22.19 27.61 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.765 -0.934 . . . . 1.0 110.765 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -116.48 138.62 51.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.898 0.38 . . . . 1.0 110.719 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -128.83 149.83 18.55 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.592 -1.003 . . . . 1.0 110.592 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.7 p -133.61 154.42 50.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.851 0.358 . . . . 1.0 110.716 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.8 t -98.73 114.63 36.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.223 175.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.478 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 5.8 p -104.85 1.59 10.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.827 -175.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -160.37 147.36 15.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.378 . . . . 1.0 110.919 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.469 ' OE2' ' O ' ' A' ' 68' ' ' ALA . 7.8 tp10 -166.68 127.25 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.943 -0.572 . . . . 1.0 110.272 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.469 ' O ' ' OE2' ' A' ' 67' ' ' GLU . . . -131.48 150.24 52.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.82 178.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.533 ' NH2' ' O ' ' A' ' 71' ' ' GLY . 2.9 ptm180 -147.51 153.51 39.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.401 -179.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.75 -49.08 1.55 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.834 -0.906 . . . . 1.0 110.834 179.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.533 ' O ' ' NH2' ' A' ' 69' ' ' ARG . . . -98.25 -138.65 10.34 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.748 -0.941 . . . . 1.0 110.748 178.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.553 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -166.22 58.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.807 0.337 . . . . 1.0 110.542 178.867 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -89.0 -15.75 33.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.516 177.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.4 mt -134.4 163.26 52.43 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.506 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.533 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 6.3 Cg_exo -80.22 173.13 12.9 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.726 2.284 . . . . 1.0 112.06 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.6 p -91.24 133.92 35.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.684 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.527 ' CD1' ' NH2' ' A' ' 50' ' ' ARG . 15.3 mt -107.55 -6.55 16.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.477 -178.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 40.3 tp -48.74 136.92 12.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.498 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.37 -0.62 83.57 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.3 tp -97.28 131.63 43.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 1.0 110.511 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.74 125.08 38.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.654 178.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -96.12 142.4 24.52 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.516 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -78.94 138.55 14.72 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.78 2.32 . . . . 1.0 112.203 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.61 -32.98 63.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.633 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.98 -23.74 3.91 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.984 -0.846 . . . . 1.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -48.8 -20.56 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.778 0.323 . . . . 1.0 110.543 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 29.4 pt -144.59 144.74 25.93 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.527 179.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -78.85 -97.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.91 2.406 . . . . 1.0 112.105 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.415 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 21.7 pt-20 -170.94 -41.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.595 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.415 ' N ' ' CG ' ' A' ' 89' ' ' GLU . 21.8 pt-20 -54.45 -40.36 68.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.577 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.4 ' N ' ' CG ' ' A' ' 90' ' ' GLU . . . -63.59 -34.71 78.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.51 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -68.21 -23.02 64.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.529 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 97' ' ' LEU . 29.4 mmt180 -57.85 -56.35 23.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.526 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.58 ' O ' ' N ' ' A' ' 98' ' ' ALA . 32.9 mt -53.11 -36.48 60.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.502 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -67.56 -36.32 80.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.724 178.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -86.54 -22.03 26.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.693 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 93' ' ' ARG . 9.9 mp -103.92 -47.95 4.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.248 -177.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.58 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -95.02 -17.16 22.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.508 -176.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.501 ' C ' ' O ' ' A' ' 98' ' ' ALA . 91.4 mt-30 33.06 62.93 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.391 178.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 101' ' ' ARG . 12.4 p -117.46 -46.63 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.812 177.027 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.476 ' N ' ' CG1' ' A' ' 100' ' ' VAL . 0.0 OUTLIER 51.83 69.88 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.249 174.021 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.6 p -143.79 124.89 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.584 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.479 ' CD1' ' N ' ' A' ' 103' ' ' ILE . 1.8 mp -109.16 131.34 60.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.694 179.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.5 m -82.98 171.02 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.277 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -50.9 121.07 5.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.462 -178.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.5 m -59.0 -9.86 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.534 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.416 ' C ' ' H ' ' A' ' 109' ' ' GLN . 16.0 pt-20 -79.68 -33.46 41.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.359 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.05 -9.91 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.358 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.416 ' H ' ' C ' ' A' ' 107' ' ' GLU . 25.9 mt-30 47.23 58.39 4.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.717 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 p -87.7 139.9 30.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.419 175.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 43.2 ptt85 -123.04 132.93 54.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.798 -177.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.438 ' O ' ' OD2' ' A' ' 136' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.234 178.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.735 0.302 . . . . 1.0 110.499 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 133' ' ' ARG . 14.9 mmt-85 -122.18 85.37 46.6 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.671 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -54.63 143.99 66.27 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.789 2.326 . . . . 1.0 111.923 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.561 ' CG2' ' ND1' ' A' ' 139' ' ' HIS . 31.2 m -122.69 130.02 74.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.575 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.67 ' OD1' ' N ' ' A' ' 136' ' ' ASP . 0.0 OUTLIER -42.84 174.19 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.42 179.612 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 140' ' ' VAL . 13.6 Cg_exo -67.56 -48.91 1.35 Allowed 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.863 2.375 . . . . 1.0 111.924 -178.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -47.57 -23.16 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.35 179.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.561 ' ND1' ' CG2' ' A' ' 135' ' ' VAL . 29.5 t-80 -88.41 -38.52 15.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.291 176.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 137' ' ' PRO . 68.7 t -50.43 -47.84 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.546 178.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -67.98 -42.35 80.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.494 178.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . 0.453 ' O ' ' OG ' ' A' ' 145' ' ' SER . 61.7 t80 -45.77 -54.74 7.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.494 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 51.4 mt -68.11 -50.95 51.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.388 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -55.1 -39.88 69.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.469 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.453 ' OG ' ' O ' ' A' ' 142' ' ' TYR . 59.1 p -54.91 -25.6 30.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.462 179.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 52.0 mtt -91.88 -0.35 57.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.423 178.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 67.96 22.18 73.87 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.511 ' O ' ' CG2' ' A' ' 148' ' ' VAL . 3.6 m -109.49 119.32 58.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.775 0.321 . . . . 1.0 110.676 179.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -88.47 -21.46 24.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.241 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' SER . . . . . 0.498 ' HG ' ' CD2' ' A' ' 170' ' ' HIS . 2.2 t -111.18 140.87 45.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.136 -179.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.4 t -145.79 118.05 8.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.92 0.39 . . . . 1.0 111.143 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 17.0 tp -115.27 135.69 53.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.006 -0.543 . . . . 1.0 109.995 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.48 155.55 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.12 0.486 . . . . 1.0 111.193 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 4.8 p -160.65 83.89 2.0 Allowed Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.633 -0.712 . . . . 1.0 109.936 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -50.83 156.26 4.83 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.922 2.415 . . . . 1.0 112.739 -176.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 28.7 mt -116.35 95.88 5.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.175 178.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 15.4 ptm -110.29 136.94 48.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.763 -177.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . 0.492 ' O ' ' HB3' ' A' ' 159' ' ' HIS . 20.0 t60 -120.43 122.84 41.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.341 177.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.492 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 64.9 t60 77.63 -115.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.417 -177.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -121.0 1.81 10.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.376 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -117.03 166.18 12.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.621 -177.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 13.0 mt -105.66 123.75 48.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.479 178.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 82.5 m95 -102.18 -35.57 8.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.906 -177.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -147.92 177.69 26.01 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.25 -0.74 . . . . 1.0 111.25 -178.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 54' ' ' TYR . 2.3 tp -143.92 130.41 20.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.689 0.28 . . . . 1.0 110.448 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 21.3 tp -104.68 143.56 32.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.547 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 7.7 p -151.64 139.54 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.644 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 42.4 m -125.35 146.88 49.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.381 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' HIS . . . . . 0.632 ' CE1' ' HZ1' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -143.21 138.5 29.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.745 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . 0.573 ' ND1' ' OG1' ' A' ' 48' ' ' THR . 1.0 OUTLIER -172.13 170.25 5.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.489 -178.737 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -55.18 -174.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.601 178.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 67.9 tt0 -118.12 81.15 16.06 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.567 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -85.13 -37.14 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.895 2.396 . . . . 1.0 112.07 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -160.61 154.03 18.58 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.483 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -66.06 176.93 3.38 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.761 2.307 . . . . 1.0 112.057 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 176' ' ' TYR . . . . . 0.426 ' OH ' ' OG ' ' A' ' 150' ' ' SER . 0.1 OUTLIER -113.28 135.01 54.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.608 -179.811 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 50.5 m -89.12 139.06 30.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.568 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -65.98 -39.43 90.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.49 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . 0.443 ' H ' ' CD ' ' A' ' 179' ' ' GLU . 47.7 mp0 -62.91 -53.54 52.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.466 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -64.34 -33.18 75.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.384 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 26.0 tp -58.85 -42.04 88.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.372 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -56.2 -50.97 69.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.293 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 61.8 t -43.06 -46.31 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.172 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 187' ' ' LEU . 60.1 t -74.28 -38.59 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.162 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -47.33 -38.01 12.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.063 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 52.7 mt -73.86 -34.68 64.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.075 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 184' ' ' VAL . 26.3 tp -55.97 -32.56 63.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.126 178.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -73.49 -36.91 65.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.119 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -56.1 -39.55 72.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.123 178.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -53.95 -54.28 41.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.167 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 92.7 t -54.81 -42.35 61.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.026 -0.533 . . . . 1.0 110.162 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 2.5 m -49.77 -30.6 9.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.068 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 65.2 mt -81.46 -34.56 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.081 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -69.59 -45.53 68.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.23 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 3.2 tp -64.6 -33.76 65.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.266 179.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . 0.474 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -76.14 -56.1 4.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.339 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -58.91 -26.61 64.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.374 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -75.18 -36.98 61.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.463 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -54.47 -39.1 67.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.401 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 40.2 mt -61.63 -58.6 7.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.462 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 22.2 t -61.68 -47.5 85.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.5 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 11.3 tp . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.018 -0.992 . . . . 1.0 110.549 179.937 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.9 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.843 0.354 . . . . 1.0 110.57 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -46.45 -30.6 2.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.644 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -77.12 -45.72 25.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.486 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.31 -29.26 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.528 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.49 ' O ' ' OG1' ' A' ' 38' ' ' THR . 95.4 mt -76.72 -25.08 53.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.653 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.518 ' NH1' ' OE2' ' A' ' 40' ' ' GLU . 0.6 OUTLIER -64.34 -32.43 74.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.523 177.546 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.86 -24.52 35.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.619 179.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.49 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 73.6 p -71.49 -48.05 51.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.614 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.433 ' CG1' ' N ' ' A' ' 40' ' ' GLU . 5.3 p -57.05 -38.18 58.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.61 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.518 ' OE2' ' NH1' ' A' ' 36' ' ' ARG . 98.0 mt-10 -70.02 -39.02 76.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.582 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -64.86 -44.77 88.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.481 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 70.2 t -60.27 -53.21 51.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.483 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 47' ' ' GLY . 6.3 tmm_? -51.1 -44.83 61.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.587 179.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.16 -40.96 95.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.556 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -71.65 -52.95 15.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.525 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 48' ' ' THR . 77.2 mt -78.85 -2.03 37.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.567 179.168 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 41.01 20.67 0.04 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 178.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.559 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.3 m -71.84 138.57 48.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 1.0 110.562 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.526 ' O ' ' HA ' ' A' ' 69' ' ' ARG . 93.3 m-20 -49.42 -43.27 44.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.574 -177.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.812 HH21 ' H ' ' A' ' 77' ' ' LEU . 72.5 ttt-85 -145.51 130.97 18.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.947 0.404 . . . . 1.0 111.036 -176.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.8 p -145.09 139.27 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.851 -0.613 . . . . 1.0 109.878 177.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.637 ' CE ' HH12 ' A' ' 50' ' ' ARG . 19.3 pttp -145.9 159.62 42.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.021 0.438 . . . . 1.0 111.317 -177.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 80.0 t -98.25 137.1 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.734 -0.666 . . . . 1.0 109.855 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.466 ' O ' ' N ' ' A' ' 165' ' ' LEU . 60.6 t80 -117.6 114.92 24.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.847 0.356 . . . . 1.0 111.197 -178.029 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -93.2 163.11 13.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.031 -0.531 . . . . 1.0 109.893 -179.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.536 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 81.3 t80 -132.27 147.4 52.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.938 0.399 . . . . 1.0 110.882 -178.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.577 ' N ' ' O ' ' A' ' 61' ' ' HIS . 15.5 m-20 -116.21 148.21 41.07 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.91 -0.587 . . . . 1.0 110.264 179.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.98 -28.74 88.69 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.756 2.304 . . . . 1.0 112.065 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -73.53 -7.19 50.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.389 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.43 23.81 13.58 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.792 -0.923 . . . . 1.0 110.792 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.577 ' O ' ' N ' ' A' ' 57' ' ' ASP . 78.5 m80 -119.6 141.11 49.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.859 0.361 . . . . 1.0 110.743 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -131.8 153.5 20.51 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.616 -0.994 . . . . 1.0 110.616 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 66.2 p -137.11 157.76 45.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.343 . . . . 1.0 110.747 -178.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.0 t -101.59 116.34 45.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.222 176.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.1 m -105.63 2.27 10.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.833 -175.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -156.71 147.44 21.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.902 0.382 . . . . 1.0 110.888 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.571 ' OE2' ' N ' ' A' ' 68' ' ' ALA . 7.2 tp10 -165.39 123.69 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.323 179.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.571 ' N ' ' OE2' ' A' ' 67' ' ' GLU . . . -124.02 134.9 53.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.803 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.526 ' HA ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -119.25 141.46 48.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.507 -179.841 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.87 -81.88 1.49 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.31 -2.73 87.52 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.766 -0.933 . . . . 1.0 110.766 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 63.29 54.02 2.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.78 0.324 . . . . 1.0 110.53 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -80.06 -57.49 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.493 179.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 29.7 mt -90.14 147.42 36.99 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.45 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -64.21 166.44 16.87 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.804 2.336 . . . . 1.0 112.056 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.7 t -84.73 133.49 34.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.66 -179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.812 ' H ' HH21 ' A' ' 50' ' ' ARG . 34.4 mt -112.11 -17.05 12.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.467 -179.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 77' ' ' LEU . 16.5 tp -34.32 138.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.545 -177.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.96 -0.03 69.0 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 mt -89.8 127.3 35.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 1.0 110.514 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.2 p -102.59 131.14 49.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.649 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.474 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 13.0 m-85 -106.64 141.6 23.17 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.544 -178.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -77.44 152.07 29.81 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.817 2.345 . . . . 1.0 112.131 177.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.76 -34.54 71.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.64 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.81 -26.92 8.67 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.028 -0.829 . . . . 1.0 111.028 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -55.45 -25.61 37.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.77 0.319 . . . . 1.0 110.549 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 38.0 mt -126.17 130.97 23.82 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.594 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.428 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 71.5 Cg_endo -76.59 -111.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.778 2.319 . . . . 1.0 112.169 -179.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.428 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 87.2 mt-10 -154.49 -56.93 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.541 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -49.72 -38.9 35.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.55 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.427 ' O ' ' CD2' ' A' ' 95' ' ' PHE . . . -70.41 -52.31 23.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.558 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -56.82 -26.51 58.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.531 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -67.15 -49.12 65.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.493 -177.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 98' ' ' ALA . 69.7 mt -47.07 -54.76 9.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.465 -177.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.566 ' CG ' ' CZ ' ' A' ' 101' ' ' ARG . 24.8 m-85 -56.43 -29.39 61.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.678 -178.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -63.75 -27.31 69.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.711 175.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.404 ' N ' ' CD1' ' A' ' 97' ' ' LEU . 10.8 mp -106.19 -27.13 11.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.267 178.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -93.9 -32.57 13.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.452 -178.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.538 ' N ' ' O ' ' A' ' 95' ' ' PHE . 91.6 mt-30 36.13 65.34 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.386 179.215 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' A' ' 101' ' ' ARG . 5.1 p -142.09 -42.07 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.829 178.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.566 ' CZ ' ' CG ' ' A' ' 95' ' ' PHE . 25.4 mmt180 52.62 90.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.28 176.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 68.0 t -152.04 124.12 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.593 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.492 ' CD1' ' N ' ' A' ' 103' ' ' ILE . 1.8 mp -104.33 130.27 55.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.79 177.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.6 p -84.3 169.7 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.341 -178.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.451 ' C ' ' H ' ' A' ' 107' ' ' GLU . 5.6 m-20 -60.02 118.14 5.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.447 -178.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 12.5 p -52.87 -12.15 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.58 179.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.734 ' C ' ' H ' ' A' ' 109' ' ' GLN . 4.0 pt-20 -93.63 -27.22 16.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.41 22.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.334 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.734 ' H ' ' C ' ' A' ' 107' ' ' GLU . 33.0 tp60 75.39 52.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.727 177.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 25.4 t -88.39 114.74 25.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.454 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -152.45 110.79 3.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.825 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 40.8 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.2 179.705 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.727 0.299 . . . . 1.0 110.453 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.545 ' CZ ' ' CD1' ' A' ' 94' ' ' LEU . 27.4 ttt85 -112.79 131.34 22.78 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.646 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.98 142.7 35.17 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.754 2.302 . . . . 1.0 112.013 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.443 ' O ' ' CG2' ' A' ' 135' ' ' VAL . 10.9 m -102.53 117.79 48.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.523 -179.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 138' ' ' CYS . 54.8 p-10 -49.94 150.31 4.11 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.425 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -45.66 -13.04 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.804 2.336 . . . . 1.0 111.905 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 136' ' ' ASP . 0.1 OUTLIER -69.99 -49.08 55.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.375 179.716 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.57 ' ND1' ' C ' ' A' ' 139' ' ' HIS . 0.1 OUTLIER -83.0 -19.76 36.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.242 -178.719 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 44.5 t -52.11 -63.13 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.571 178.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.524 ' O ' ' N ' ' A' ' 145' ' ' SER . 7.3 m80 -60.65 -40.83 93.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.39 178.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -49.55 -58.81 4.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.445 178.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.56 HD13 ' HE2' ' A' ' 139' ' ' HIS . 1.3 tp -66.82 -51.8 51.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.471 -179.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 147' ' ' GLY . 3.2 tmtt? -57.43 -41.68 80.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.452 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.524 ' N ' ' O ' ' A' ' 141' ' ' HIS . 20.2 t -51.95 -25.54 8.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.51 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 29.6 mtt -92.36 -1.1 57.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.46 177.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 144' ' ' LYS . . . 74.93 26.62 66.37 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.3 t -109.82 117.75 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 1.0 110.711 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -79.82 -30.77 40.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.305 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' SER . . . . . 0.445 ' O ' ' CD2' ' A' ' 170' ' ' HIS . 26.2 m -146.12 121.74 10.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.135 -178.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' A' ' 168' ' ' SER . 34.1 t -114.22 137.6 51.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.946 0.403 . . . . 1.0 111.032 178.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 37.9 tp -99.78 127.22 45.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.007 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.07 159.09 39.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.021 0.439 . . . . 1.0 111.246 -178.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 3.4 t -149.12 126.5 5.57 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 115.731 -0.668 . . . . 1.0 109.985 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -77.05 126.99 9.03 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.966 2.444 . . . . 1.0 112.757 -173.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 12.0 mt -104.0 93.94 5.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.239 177.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 23.6 ptm -121.05 138.89 53.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.782 -177.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . 0.621 ' CD2' ' CD2' ' A' ' 159' ' ' HIS . 70.3 t60 -112.86 123.52 50.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.402 177.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.621 ' CD2' ' CD2' ' A' ' 158' ' ' HIS . 7.8 m-70 61.01 -100.82 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.392 -178.016 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -124.61 5.47 8.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.427 -178.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.464 ' N ' ' OE1' ' A' ' 161' ' ' GLU . 38.2 mp0 -114.42 152.8 30.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.609 -176.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 11.7 tp -106.32 123.23 47.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.399 176.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -100.34 -42.22 6.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.948 -176.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -150.91 -175.09 22.5 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.194 -0.762 . . . . 1.0 111.194 -176.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 54' ' ' TYR . 45.6 tp -150.13 134.53 17.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.759 0.314 . . . . 1.0 110.422 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 66.2 tp -98.38 138.12 36.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.589 178.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 10.1 p -143.42 138.6 26.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.732 -178.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.424 ' O ' ' OG ' ' A' ' 151' ' ' SER . 0.1 OUTLIER -123.54 143.44 50.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.302 177.361 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -118.27 128.98 55.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.784 -178.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . 0.445 ' CD2' ' O ' ' A' ' 150' ' ' SER . 1.8 p-80 -168.12 162.35 12.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.474 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -61.0 -152.26 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.607 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -124.2 75.3 59.98 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.588 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -81.24 -59.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.849 2.366 . . . . 1.0 112.094 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -146.22 152.83 47.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.524 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.99 178.19 2.54 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.772 2.315 . . . . 1.0 112.065 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -108.97 140.02 43.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.57 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 25.1 t -91.22 141.38 28.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.523 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -64.65 -38.5 91.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.518 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -63.38 -57.58 9.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.479 -179.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -62.89 -34.54 77.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.433 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 26.3 tp -58.84 -41.23 86.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.403 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -58.57 -51.06 71.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.339 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 49.6 t -42.06 -47.94 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.174 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 97.1 t -73.96 -38.78 50.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.226 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -47.36 -39.21 14.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.117 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 17.8 tp -71.76 -34.95 69.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.028 177.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 12.7 tp -55.54 -31.98 62.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.086 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -74.39 -35.74 63.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.083 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -60.05 -42.8 95.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.195 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -51.64 -53.81 34.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.191 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 72.1 t -55.28 -40.63 57.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.117 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 3.2 t -47.72 -37.16 12.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.074 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.7 mp -77.38 -34.38 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.111 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -70.9 -49.81 41.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.228 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . 0.43 ' CG2' ' N ' ' A' ' 196' ' ' ALA . 10.7 tp -66.02 -40.05 86.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.244 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . 0.43 ' N ' ' CG2' ' A' ' 195' ' ' ILE . . . -56.69 -38.29 72.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.335 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . 0.42 ' O ' ' OG ' ' A' ' 201' ' ' SER . 53.9 tp60 -69.83 -22.44 63.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.395 178.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -74.38 -35.94 63.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.451 -179.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -62.65 -49.47 75.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.372 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 42.1 tp -68.84 -52.99 24.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.539 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 201' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 197' ' ' GLN . 26.0 m -52.69 -41.59 64.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.565 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 15.8 tp . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.031 -0.985 . . . . 1.0 110.609 179.815 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.4 tp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.882 0.372 . . . . 1.0 110.572 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -53.26 -34.32 56.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.579 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -76.4 -50.84 13.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.567 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.497 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.5 mp -53.4 -47.48 58.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.493 -178.114 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.465 ' O ' ' OG1' ' A' ' 38' ' ' THR . 87.0 mt -66.96 -27.08 67.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.657 -177.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -34.86 61.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.62 177.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.69 -27.22 29.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.662 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.68 ' HG1' ' H ' ' A' ' 39' ' ' VAL . 61.6 p -68.67 -50.57 50.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.671 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.68 ' H ' ' HG1' ' A' ' 38' ' ' THR . 9.3 p -56.39 -39.92 63.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.673 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.4 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 91.8 mt-10 -73.56 -40.47 63.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.56 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -61.44 -51.79 67.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.512 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.9 t -58.89 -49.52 82.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.468 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.547 ' O ' ' N ' ' A' ' 47' ' ' GLY . 38.7 ttp180 -47.52 -43.82 25.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.515 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.64 -37.11 77.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.549 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -76.04 -50.75 13.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.548 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.55 ' O ' ' N ' ' A' ' 48' ' ' THR . 39.0 mt -80.16 -0.43 35.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.507 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.547 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.72 22.13 0.05 OUTLIER Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 178.06 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.577 ' CG2' ' H ' ' A' ' 50' ' ' ARG . 1.3 m -75.26 138.06 41.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.818 0.342 . . . . 1.0 110.598 179.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.51 ' OD2' ' NH2' ' A' ' 73' ' ' ARG . 53.8 p30 -73.02 -15.51 61.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.596 -176.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.577 ' H ' ' CG2' ' A' ' 48' ' ' THR . 44.8 ttp180 -150.49 116.99 5.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.966 0.412 . . . . 1.0 110.985 -179.295 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.3 p -148.58 135.84 13.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.843 -0.617 . . . . 1.0 109.885 177.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -144.35 162.3 36.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.114 0.483 . . . . 1.0 111.233 -178.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 63.2 t -101.19 136.31 33.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.703 -0.681 . . . . 1.0 109.898 178.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -118.81 117.83 29.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.932 0.396 . . . . 1.0 111.202 -178.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.0 mtp85 -95.33 162.06 13.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.968 -0.56 . . . . 1.0 109.912 179.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -129.17 143.71 50.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.895 0.378 . . . . 1.0 110.906 -178.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -114.75 133.53 22.56 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.283 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -44.88 -24.59 1.28 Allowed 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.71 2.273 . . . . 1.0 112.053 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -78.32 -6.43 55.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.472 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.5 19.48 35.02 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.761 -0.936 . . . . 1.0 110.761 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -113.32 137.81 50.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.865 0.364 . . . . 1.0 110.726 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -128.87 149.92 18.6 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.668 -0.973 . . . . 1.0 110.668 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.7 p -134.81 155.64 50.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 1.0 110.733 -178.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.9 t -97.55 111.83 28.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.223 175.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.5 p -102.39 -2.65 9.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.808 -175.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -157.34 146.73 20.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.909 0.385 . . . . 1.0 110.897 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -168.63 126.83 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.268 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -132.53 151.62 51.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.795 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.527 ' O ' ' NH1' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -136.7 143.94 43.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.418 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.45 3.38 79.05 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.833 -0.907 . . . . 1.0 110.833 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -159.63 -114.88 0.38 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.781 -0.928 . . . . 1.0 110.781 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 179.98 44.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.831 0.348 . . . . 1.0 110.594 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.698 ' NH2' ' H ' ' A' ' 171' ' ' ALA . 40.8 ttp180 -78.27 -57.46 3.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.523 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 40.3 mt -92.46 146.67 32.9 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.545 177.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -66.53 168.39 16.59 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.74 2.294 . . . . 1.0 112.059 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 54.9 p -90.17 140.92 29.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.72 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.484 ' O ' ' C ' ' A' ' 78' ' ' LEU . 43.2 mt -116.38 -19.87 9.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.466 -179.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.484 ' C ' ' O ' ' A' ' 77' ' ' LEU . 23.2 tp -34.03 140.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.491 -177.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.5 -0.65 71.27 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.81 -0.916 . . . . 1.0 110.81 178.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.3 mt -97.64 134.0 41.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.793 0.33 . . . . 1.0 110.514 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.1 p -97.71 124.87 42.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.656 177.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -100.82 146.05 31.44 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.499 -178.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.4 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 76.5 Cg_endo -79.31 145.16 18.75 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.89 2.393 . . . . 1.0 112.18 178.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.87 -33.94 75.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.591 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.87 -22.8 6.36 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.021 -0.832 . . . . 1.0 111.021 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 87' ' ' ILE . 38.6 p-10 -58.62 -33.03 69.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 1.0 110.587 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.527 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 83.4 mt -119.27 102.42 48.44 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.442 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.489 ' O ' ' O ' ' A' ' 87' ' ' ILE . 81.4 Cg_exo -43.5 -108.69 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.82 2.347 . . . . 1.0 112.157 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.415 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 85.0 tt0 -166.35 -42.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.575 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -53.56 -36.8 62.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.531 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.24 -38.95 86.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.622 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.44 HH21 ' CD2' ' A' ' 162' ' ' LEU . 83.8 mtp180 -70.38 -26.58 63.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.553 -178.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -56.71 -54.57 44.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.518 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.575 ' O ' ' N ' ' A' ' 98' ' ' ALA . 9.1 mp -54.77 -38.03 66.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.522 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -59.97 -31.64 70.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.698 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -88.63 -19.92 25.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.706 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.4 mt -102.79 -47.21 4.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.202 -177.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.575 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -99.73 -17.86 17.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.393 -175.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.477 ' C ' ' O ' ' A' ' 98' ' ' ALA . 89.3 mt-30 35.43 64.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.369 178.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.534 ' CG2' HH12 ' A' ' 133' ' ' ARG . 16.1 t -111.08 -48.16 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.845 177.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.404 ' NE ' ' HD2' ' A' ' 155' ' ' PRO . 0.0 OUTLIER 54.12 64.75 1.72 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.289 175.062 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 8.0 p -147.81 124.56 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.637 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.442 ' CG2' ' OG ' ' A' ' 151' ' ' SER . 1.7 mp -108.04 131.38 58.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.713 177.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 10.6 m -82.21 168.69 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.369 -178.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.474 ' C ' ' H ' ' A' ' 107' ' ' GLU . 10.6 m-20 -55.2 119.47 5.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.462 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.6 p -51.46 -11.93 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.571 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.743 ' C ' ' H ' ' A' ' 109' ' ' GLN . 7.1 pt-20 -98.02 -26.32 14.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.328 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 105' ' ' ASP . . . -60.86 23.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.343 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.743 ' H ' ' C ' ' A' ' 107' ' ' GLU . 40.7 tp60 74.65 50.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.004 -0.543 . . . . 1.0 110.677 177.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.33 114.83 24.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.457 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -150.24 108.73 3.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.809 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.491 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 18.1 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.17 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.713 0.292 . . . . 1.0 110.495 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.534 HH12 ' CG2' ' A' ' 100' ' ' VAL . 3.9 mmt85 -121.19 83.78 39.44 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.641 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . 0.447 ' C ' ' OG ' ' A' ' 112' ' ' SER . 51.0 Cg_exo -51.7 144.49 33.94 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.764 2.31 . . . . 1.0 111.928 -179.227 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' ' 112' ' ' SER . 24.5 m -105.1 160.91 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.564 -178.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 136' ' ' ASP . 0.0 OUTLIER -94.39 161.24 29.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.433 -179.72 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -53.03 -23.96 23.45 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.874 2.382 . . . . 1.0 111.912 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . 0.531 ' SG ' ' N ' ' A' ' 139' ' ' HIS . 0.1 OUTLIER -68.77 -40.69 79.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.423 178.526 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.678 ' CD2' ' C ' ' A' ' 139' ' ' HIS . 0.1 OUTLIER -81.45 -26.32 35.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.268 179.499 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 38.3 t -50.54 -54.04 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.477 178.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -63.49 -40.08 96.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.438 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -45.26 -54.39 7.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.464 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.439 HD13 ' NE2' ' A' ' 139' ' ' HIS . 21.8 mt -70.95 -50.86 29.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.34 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -55.9 -42.23 75.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.437 -178.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 21.9 t -54.19 -26.4 27.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.569 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 52.6 mtt -94.25 -2.54 52.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.531 177.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 70.05 24.25 76.63 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.931 -0.868 . . . . 1.0 110.931 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.511 HG23 ' N ' ' A' ' 170' ' ' HIS . 6.4 p -110.88 123.57 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.341 . . . . 1.0 110.684 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -94.83 -19.05 20.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.278 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 37.2 t -110.34 138.69 46.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.061 -178.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.442 ' OG ' ' CG2' ' A' ' 103' ' ' ILE . 5.2 p -145.43 120.75 10.25 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.698 -0.401 . . . . 1.0 111.081 179.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 16.8 tp -120.42 136.58 54.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 1.0 109.999 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.428 ' C ' ' CG2' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -120.11 149.06 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.012 0.434 . . . . 1.0 111.22 -178.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.428 ' CG2' ' C ' ' A' ' 153' ' ' VAL . 0.9 OUTLIER -151.24 77.32 7.5 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.719 -0.673 . . . . 1.0 109.948 -179.062 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' PRO . . . . . 0.404 ' HD2' ' NE ' ' A' ' 101' ' ' ARG . 28.9 Cg_endo -61.15 156.92 42.26 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.987 2.458 . . . . 1.0 112.691 -175.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 35.2 mt -118.69 94.21 4.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.256 178.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 18.1 ptm -108.75 135.7 49.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.781 -177.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . 0.492 ' O ' ' HB3' ' A' ' 159' ' ' HIS . 55.3 t60 -120.45 122.9 41.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.44 177.136 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.492 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 62.6 t60 78.47 -117.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.365 -177.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -121.51 7.85 10.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.45 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -118.02 162.16 18.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.558 -177.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . 0.44 ' CD2' HH21 ' A' ' 92' ' ' ARG . 10.8 mp -105.46 126.3 51.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.417 177.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' TRP . . . . . 0.433 ' NE1' ' HB3' ' A' ' 158' ' ' HIS . 97.7 m95 -102.87 -37.29 7.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.881 -176.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -148.94 177.95 26.83 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.196 -0.761 . . . . 1.0 111.196 -177.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 33.5 tp -144.72 131.37 19.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.76 0.314 . . . . 1.0 110.418 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 7.7 tp -102.77 148.8 25.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.593 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 4.6 p -152.57 137.47 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.76 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.427 ' OG ' ' OG1' ' A' ' 48' ' ' THR . 0.5 OUTLIER -121.17 140.21 52.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.353 178.122 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' HIS . . . . . 0.483 ' O ' ' OD1' ' A' ' 49' ' ' ASP . 98.5 m-70 -135.12 134.12 39.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.746 -179.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . 0.511 ' N ' HG23 ' A' ' 148' ' ' VAL . 2.4 p80 -170.1 168.13 8.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.519 -179.163 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.698 ' H ' ' NH2' ' A' ' 73' ' ' ARG . . . -56.65 -170.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.578 179.381 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -118.69 80.36 17.26 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.601 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -84.73 -59.16 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.893 2.395 . . . . 1.0 112.086 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 2.9 ptp85 -142.51 152.65 60.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.573 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.12 176.25 4.05 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.854 2.369 . . . . 1.0 112.029 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 176' ' ' TYR . . . . . 0.414 ' CD1' ' O ' ' A' ' 176' ' ' TYR . 20.3 p90 -115.59 137.48 52.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.625 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 26.2 t -90.23 143.92 26.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.558 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 178' ' ' GLN . . . . . 0.42 ' CD ' ' H ' ' A' ' 178' ' ' GLN . 27.5 mp0 -63.93 -32.77 74.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.509 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.11 -45.74 91.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.496 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -72.77 -30.92 64.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.417 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 29.6 tp -56.89 -37.08 70.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.432 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -68.99 -51.21 41.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.33 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 57.2 t -43.08 -49.34 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.168 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 27.2 m -75.4 -34.64 30.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.172 -179.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -48.86 -39.88 27.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.11 177.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 53.1 mt -74.04 -33.0 63.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.038 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 30.4 tp -56.8 -32.2 65.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.101 179.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -74.91 -39.15 61.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.083 178.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -55.29 -39.71 70.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.158 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -54.26 -53.81 48.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.118 178.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 44.0 t -55.31 -41.79 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.141 178.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 3.9 t -48.56 -32.14 7.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.01 179.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 64.9 mt -80.44 -34.28 14.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.159 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -70.21 -46.52 64.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.266 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 8.3 tp -64.21 -42.1 94.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.255 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -67.43 -53.68 26.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.346 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -60.25 -24.54 64.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.373 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -74.39 -37.57 63.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.462 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -55.0 -38.8 68.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.481 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 40.1 tp -62.45 -57.41 11.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.478 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 29.4 m -52.85 -41.93 64.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.534 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 44.6 mt . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 117.951 -1.023 . . . . 1.0 110.564 179.56 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.0 mt . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.774 0.321 . . . . 1.0 110.51 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -72.67 -33.56 66.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.562 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -76.85 -55.0 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.512 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.485 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.5 mp -51.02 -54.6 9.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.638 -178.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.49 ' C ' ' HG1' ' A' ' 38' ' ' THR . 40.0 mt -58.44 -31.85 68.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.638 -177.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.512 ' HE ' ' C ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -50.3 -40.23 47.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.607 179.521 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.27 -26.16 42.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.659 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.49 ' HG1' ' C ' ' A' ' 35' ' ' LEU . 31.2 p -71.49 -43.26 66.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.592 178.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 81.1 t -58.63 -40.68 79.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.688 179.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -72.13 -41.69 66.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.602 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -60.62 -45.55 93.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.429 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.7 t -63.91 -47.46 90.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.555 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.521 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.8 OUTLIER -48.05 -44.75 31.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.548 179.667 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.07 -38.15 85.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.498 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -76.7 -52.3 9.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.583 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.9 mt -80.23 -3.76 50.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.626 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 41.78 67.2 0.86 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.976 -0.85 . . . . 1.0 110.976 178.42 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.5 136.26 53.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.817 0.342 . . . . 1.0 110.543 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.542 ' OD2' ' NE ' ' A' ' 73' ' ' ARG . 24.0 p30 -70.74 -14.13 62.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.593 -177.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.541 ' NH1' ' OE2' ' A' ' 67' ' ' GLU . 57.6 ttm-85 -155.81 116.73 3.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.98 0.419 . . . . 1.0 111.008 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.0 p -151.66 138.28 12.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.818 -0.628 . . . . 1.0 109.799 176.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -146.98 162.6 38.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.103 0.478 . . . . 1.0 111.237 -177.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.7 p -101.46 137.16 30.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.694 -0.684 . . . . 1.0 109.899 177.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -120.3 118.81 31.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.911 0.386 . . . . 1.0 111.201 -177.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -94.74 164.21 13.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.001 -0.545 . . . . 1.0 109.836 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.544 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 77.4 t80 -130.37 146.89 52.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.94 0.4 . . . . 1.0 110.903 -178.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.544 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 23.4 m-20 -116.43 147.68 40.15 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.249 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.99 -24.9 75.5 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.805 2.337 . . . . 1.0 112.083 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.3 mp0 -77.05 -6.87 54.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.34 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.87 23.82 19.4 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.786 -0.925 . . . . 1.0 110.786 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.429 ' O ' ' N ' ' A' ' 57' ' ' ASP . 93.0 m-70 -119.19 140.92 49.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 1.0 110.738 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -133.36 153.97 21.02 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.708 -0.957 . . . . 1.0 110.708 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 21.8 p -138.24 159.14 42.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.892 0.377 . . . . 1.0 110.712 -177.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.5 t -100.22 113.2 35.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.198 175.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.2 m -101.53 1.91 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.844 -175.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -162.34 151.62 15.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.949 0.404 . . . . 1.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.541 ' OE2' ' NH1' ' A' ' 50' ' ' ARG . 71.7 tt0 -166.35 126.23 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.202 -179.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -125.95 145.75 50.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.82 179.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.45 151.23 40.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.48 -179.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -100.01 -55.76 0.98 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.876 -0.889 . . . . 1.0 110.876 178.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.85 -131.55 4.51 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.726 -0.949 . . . . 1.0 110.726 178.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -172.74 59.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.807 0.337 . . . . 1.0 110.547 178.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.542 ' NE ' ' OD2' ' A' ' 49' ' ' ASP . 17.2 ptp180 -91.8 -16.64 26.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.451 177.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.508 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 12.2 mt -132.23 151.81 79.02 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.466 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.531 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 49.8 Cg_endo -71.98 172.36 14.81 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.79 2.327 . . . . 1.0 112.094 179.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.8 t -84.23 115.76 22.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.67 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.5 ' O ' ' C ' ' A' ' 78' ' ' LEU . 36.9 mt -90.21 -25.42 20.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.494 -178.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.5 ' C ' ' O ' ' A' ' 77' ' ' LEU . 6.3 tp -32.79 139.01 0.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.589 -178.42 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.28 0.02 68.14 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.844 -0.902 . . . . 1.0 110.844 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 mt -92.0 129.59 37.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.79 0.329 . . . . 1.0 110.561 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.6 m -94.68 120.47 34.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.663 177.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.429 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 15.9 m-85 -98.01 144.02 27.28 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.498 -178.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.405 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 71.8 Cg_endo -78.91 140.37 16.07 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.797 2.331 . . . . 1.0 112.187 178.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.37 -34.33 66.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.718 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -51.44 -23.09 8.54 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.003 -0.839 . . . . 1.0 111.003 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.543 ' OD1' ' N ' ' A' ' 87' ' ' ILE . 40.5 p-10 -59.53 -29.58 67.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.803 0.335 . . . . 1.0 110.599 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.561 ' O ' ' O ' ' A' ' 88' ' ' PRO . 95.7 mt -118.92 99.31 51.13 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.467 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.561 ' O ' ' O ' ' A' ' 87' ' ' ILE . 88.0 Cg_exo -45.59 -116.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.872 2.381 . . . . 1.0 112.146 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.467 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 42.5 tp10 -156.97 -58.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.518 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -45.12 -37.45 4.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.592 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.5 -51.23 37.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.561 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -55.64 -25.61 40.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.545 -178.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -63.22 -49.67 73.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.528 -178.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' A' ' 98' ' ' ALA . 57.3 mt -47.8 -50.93 24.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.459 -178.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 22.8 m-85 -56.86 -27.26 60.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.689 179.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -87.64 -21.62 25.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.621 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.6 mp -104.06 -49.66 3.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.232 -177.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.567 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -96.09 -15.6 22.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.413 -175.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.503 ' C ' ' O ' ' A' ' 98' ' ' ALA . 89.1 mt-30 33.22 62.14 0.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.348 178.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.47 ' CG2' ' N ' ' A' ' 101' ' ' ARG . 22.7 m -110.55 -48.89 6.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.87 177.08 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.47 ' N ' ' CG2' ' A' ' 100' ' ' VAL . 0.4 OUTLIER 55.14 67.06 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.252 174.079 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.482 ' CG2' ' OH ' ' A' ' 176' ' ' TYR . 12.7 p -148.04 126.85 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.614 179.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.485 ' CD1' ' N ' ' A' ' 103' ' ' ILE . 2.6 mp -112.95 136.06 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.667 178.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.485 ' CG1' ' N ' ' A' ' 105' ' ' ASP . 46.1 t -84.62 170.52 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.303 -178.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.485 ' N ' ' CG1' ' A' ' 104' ' ' VAL . 82.2 m-20 -49.99 120.81 4.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.42 -179.185 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 15.1 m -56.52 -6.96 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.579 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.467 ' H ' ' C ' ' A' ' 105' ' ' ASP . 1.7 pp20? -77.92 -33.17 51.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.339 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.27 -14.58 27.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.337 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 48.91 61.0 3.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.738 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.2 m -86.63 139.93 30.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.437 175.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 71.7 mtm-85 -121.79 131.93 54.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.839 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.418 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 5.7 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.186 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.74 0.305 . . . . 1.0 110.455 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -130.54 115.99 17.25 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.658 -179.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -80.27 144.66 16.52 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.781 2.32 . . . . 1.0 111.965 178.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 23.6 m -127.59 135.11 64.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.544 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.418 ' HA ' ' H ' ' A' ' 112' ' ' SER . 0.3 OUTLIER -46.87 160.12 0.34 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.478 179.481 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.93 -12.59 2.1 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.861 2.374 . . . . 1.0 111.884 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -47.61 85.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.395 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.55 ' ND1' ' C ' ' A' ' 139' ' ' HIS . 1.3 t-80 -82.56 -27.73 31.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.292 -177.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 88.5 t -54.7 -63.12 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.493 -179.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -64.58 -45.03 88.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.429 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -43.98 -44.96 7.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.501 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . 0.474 ' CD2' ' OG ' ' A' ' 151' ' ' SER . 1.8 mp -72.05 -48.52 43.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.383 178.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -54.33 -42.51 70.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.446 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.5 m -53.21 -25.24 13.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.547 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 37.7 mtt -93.03 -3.06 55.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.409 178.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 69.74 23.72 76.66 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.482 ' O ' ' CG1' ' A' ' 148' ' ' VAL . 5.4 p -109.99 123.59 66.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.78 0.324 . . . . 1.0 110.659 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -94.53 -25.85 16.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.243 -179.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 32.3 t -103.43 138.02 40.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.099 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.474 ' OG ' ' CD2' ' A' ' 143' ' ' LEU . 0.0 OUTLIER -143.29 118.93 10.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.941 0.4 . . . . 1.0 111.04 179.622 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 59.1 tp -116.78 133.82 55.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.02 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.96 152.05 21.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.117 0.484 . . . . 1.0 111.213 -178.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.402 HG23 HH21 ' A' ' 101' ' ' ARG . 66.9 t -152.41 75.18 7.24 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 115.724 -0.671 . . . . 1.0 109.924 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -53.63 151.06 26.09 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.897 2.398 . . . . 1.0 112.669 -176.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 42.1 mt -117.63 96.35 5.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.833 -0.621 . . . . 1.0 110.21 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 19.7 ptm -118.14 137.89 52.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.775 -178.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . 0.627 ' ND1' ' CD2' ' A' ' 159' ' ' HIS . 6.9 t-80 -117.59 135.08 54.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.376 177.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.627 ' CD2' ' ND1' ' A' ' 158' ' ' HIS . 84.8 m-70 65.76 -115.7 0.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.311 -178.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -119.57 4.55 11.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.448 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -117.11 165.39 13.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.518 . . . . 1.0 110.616 -177.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 19.5 tp -107.4 122.49 46.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.474 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -99.89 -37.19 9.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.882 -177.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -150.59 -178.39 25.41 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.196 -0.762 . . . . 1.0 111.196 -178.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.2 tp -147.14 144.73 29.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.772 0.32 . . . . 1.0 110.412 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 13.9 tp -117.7 141.93 47.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.586 178.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 20.6 t -148.57 133.96 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.702 -177.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 16.9 m -118.25 145.67 44.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.383 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' HIS . . . . . 0.651 ' ND1' ' N ' ' A' ' 169' ' ' HIS . 0.0 OUTLIER -140.8 133.64 29.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.776 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . 0.724 ' CD2' ' N ' ' A' ' 171' ' ' ALA . 21.1 t60 -169.93 163.73 9.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.506 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.724 ' N ' ' CD2' ' A' ' 170' ' ' HIS . . . -52.01 -171.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.596 178.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -121.78 79.29 40.14 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.651 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -83.83 -48.14 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.848 2.365 . . . . 1.0 112.107 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 76.2 mtm180 -146.37 151.84 44.75 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.494 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -68.26 176.25 5.79 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.807 2.338 . . . . 1.0 112.091 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 176' ' ' TYR . . . . . 0.482 ' OH ' ' CG2' ' A' ' 102' ' ' VAL . 21.3 p90 -117.34 135.84 53.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.611 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 54.3 p -86.01 143.54 28.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.535 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 178' ' ' GLN . . . . . 0.412 ' CD ' ' N ' ' A' ' 178' ' ' GLN . 27.4 mp0 -67.06 -36.9 83.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.497 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -58.89 -47.35 85.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.494 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.93 -32.96 70.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.459 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 25.3 tp -56.03 -45.44 79.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.406 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 185' ' ' GLN . 26.1 mt-30 -60.11 -53.03 62.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.285 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 81.0 t -42.1 -42.74 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.132 178.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 85.2 t -74.5 -37.6 44.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.176 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 182' ' ' GLN . 61.2 tt0 -48.47 -39.18 22.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.048 178.183 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 27.8 tp -72.06 -34.02 68.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.049 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 22.4 tp -56.38 -30.53 62.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.128 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -71.97 -38.04 69.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.095 178.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -56.48 -40.95 75.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.163 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -53.46 -55.59 24.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.138 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 84.3 t -56.84 -41.71 76.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.089 178.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 3.8 t -49.44 -34.5 16.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.179 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.5 mp -78.97 -33.98 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.15 178.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -70.85 -46.91 61.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.245 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 2.7 tp -65.28 -33.82 66.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.28 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -74.45 -54.99 6.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.3 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -62.14 -26.06 68.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.386 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -73.43 -39.58 64.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.413 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -53.28 -36.77 61.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.366 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 40.5 tp -64.58 -56.68 12.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.523 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 19.3 m -63.63 -50.11 70.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.531 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 31.4 mt . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.025 -0.988 . . . . 1.0 110.499 -179.903 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 tp . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.785 0.326 . . . . 1.0 110.518 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -54.24 -48.75 70.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.536 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -61.08 -46.08 92.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.582 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.542 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.4 mp -64.87 -32.07 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.626 -178.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.481 ' O ' HG22 ' A' ' 38' ' ' THR . 81.3 mt -78.61 -20.88 49.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.647 -178.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.464 ' O ' HG12 ' A' ' 39' ' ' VAL . 72.7 mtp180 -76.35 -33.3 58.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.615 178.178 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.91 -31.16 25.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.568 -178.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.536 ' CG2' ' N ' ' A' ' 39' ' ' VAL . 3.5 t -70.83 -44.34 66.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.596 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.536 ' N ' ' CG2' ' A' ' 38' ' ' THR . 5.1 p -55.21 -36.67 40.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.698 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -74.96 -34.77 62.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.559 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -66.24 -47.99 72.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.556 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.8 t -61.67 -54.39 35.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.544 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.553 ' O ' ' N ' ' A' ' 47' ' ' GLY . 4.9 tmm_? -47.77 -40.96 22.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.552 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.33 -37.67 81.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.581 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -76.53 -49.22 17.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.577 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.589 ' O ' ' N ' ' A' ' 48' ' ' THR . 10.9 mt -79.0 -3.39 44.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.542 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.553 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.41 20.32 0.03 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.589 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.5 m -71.89 139.41 48.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.872 0.368 . . . . 1.0 110.534 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.522 ' OD2' ' NH1' ' A' ' 73' ' ' ARG . 80.2 m-20 -48.21 -47.89 35.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.517 . . . . 1.0 110.605 -177.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.7 mtp-105 -138.22 132.32 31.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.001 0.429 . . . . 1.0 110.974 -176.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 t -142.96 131.72 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.86 -0.609 . . . . 1.0 109.753 176.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.1 pttt -142.66 157.3 44.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.099 0.476 . . . . 1.0 111.207 -178.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.9 p -102.97 139.74 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.66 -0.7 . . . . 1.0 109.873 177.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -122.88 120.12 32.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 1.0 111.182 -177.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.489 ' HG3' ' H ' ' A' ' 56' ' ' PHE . 4.7 tpt180 -95.85 162.74 13.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.999 -0.546 . . . . 1.0 109.898 179.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.535 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 85.5 t80 -129.81 145.02 51.58 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.722 -0.391 . . . . 1.0 110.903 -178.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.535 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 24.8 m-20 -114.05 148.42 39.97 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.281 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.61 -23.87 76.92 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.685 2.257 . . . . 1.0 112.05 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -78.27 -4.93 50.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.36 -179.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.33 21.52 29.44 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.766 -0.933 . . . . 1.0 110.766 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.404 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 90.7 m-70 -116.81 140.29 49.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.803 0.335 . . . . 1.0 110.715 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -132.8 154.88 21.33 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.572 -1.011 . . . . 1.0 110.572 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 76.4 p -139.1 158.26 44.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.745 0.307 . . . . 1.0 110.763 -178.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.1 t -101.57 117.04 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.181 176.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.6 m -106.88 1.89 10.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.817 -176.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -158.09 148.66 20.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.935 0.398 . . . . 1.0 110.895 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -166.68 127.19 1.61 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.261 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -122.64 120.38 33.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 1.0 110.763 178.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.502 ' HA ' ' O ' ' A' ' 49' ' ' ASP . 42.9 ptt85 -112.04 143.09 43.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.495 -178.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -94.7 -78.94 1.43 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.867 -0.893 . . . . 1.0 110.867 179.037 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.44 -117.58 0.53 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.776 -0.93 . . . . 1.0 110.776 178.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -179.3 50.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.831 0.348 . . . . 1.0 110.593 178.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.522 ' NH1' ' OD2' ' A' ' 49' ' ' ASP . 3.1 ptp85 -85.75 -16.46 38.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.514 177.008 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.9 mt -138.4 149.29 62.52 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.512 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.81 173.16 8.51 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.758 2.305 . . . . 1.0 112.139 -178.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.3 t -94.59 135.69 35.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.753 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.1 mt -106.82 0.85 24.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.497 -179.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 68.9 tp -55.6 137.09 49.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.545 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.51 0.53 79.24 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.876 -0.89 . . . . 1.0 110.876 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.2 tp -90.5 130.57 36.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.768 0.318 . . . . 1.0 110.551 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.1 t -100.83 129.35 46.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.635 177.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -96.88 143.35 25.96 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.565 -178.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -80.96 145.51 15.7 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.757 2.305 . . . . 1.0 112.182 178.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.7 -43.81 76.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.616 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.6 -24.31 7.55 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -52.72 -21.2 3.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 1.0 110.593 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.587 ' CD1' HH21 ' A' ' 92' ' ' ARG . 26.9 pt -135.39 144.6 50.24 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.472 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.52 -99.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.838 2.359 . . . . 1.0 112.162 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -166.1 -45.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.603 179.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -51.19 -38.28 51.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.568 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.93 -49.2 54.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.616 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.587 HH21 ' CD1' ' A' ' 87' ' ' ILE . 32.0 ttm180 -58.2 -31.56 67.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.58 -178.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -54.25 -44.86 72.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.467 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.654 ' O ' ' N ' ' A' ' 98' ' ' ALA . 8.8 mp -52.26 -37.9 56.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.503 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.552 ' CG ' ' HD2' ' A' ' 101' ' ' ARG . 13.0 m-85 -58.27 -21.1 47.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.713 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 53.5 mtp85 -95.03 -33.99 12.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.726 -177.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.464 ' CD1' ' N ' ' A' ' 97' ' ' LEU . 9.0 mp -105.98 -37.71 6.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.197 -176.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.654 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -84.36 -35.05 23.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.448 -176.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.617 ' NE2' ' SD ' ' A' ' 157' ' ' MET . 85.0 mt-30 33.68 58.0 0.55 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 101' ' ' ARG . 5.3 t -145.36 -50.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.809 178.22 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.771 ' HE ' ' H ' ' A' ' 101' ' ' ARG . 4.1 mmp_? 50.44 98.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.29 174.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 69.9 t -153.42 124.29 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.597 177.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.488 ' CD1' ' N ' ' A' ' 103' ' ' ILE . 1.7 mp -101.2 132.21 47.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.729 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.8 t -85.15 170.82 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.298 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.516 ' N ' ' OD1' ' A' ' 105' ' ' ASP . 0.6 OUTLIER -60.67 116.95 4.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.466 -178.755 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -52.05 -12.23 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.571 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.721 ' C ' ' H ' ' A' ' 109' ' ' GLN . 3.9 pt-20 -92.34 -28.2 17.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.263 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.517 ' O ' ' HB2' ' A' ' 109' ' ' GLN . . . -62.17 21.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.35 178.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.721 ' H ' ' C ' ' A' ' 107' ' ' GLU . 79.8 mt-30 74.28 48.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.683 178.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.507 ' HG ' ' H ' ' A' ' 135' ' ' VAL . 2.6 t -87.49 119.87 28.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.374 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -155.29 110.37 3.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 135' ' ' VAL . 39.3 t . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 115.993 -0.548 . . . . 1.0 110.22 179.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.871 0.367 . . . . 1.0 110.42 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.574 HH21 ' NH1' ' A' ' 101' ' ' ARG . 8.4 ttm180 -133.62 94.18 19.79 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.698 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -48.78 147.06 10.45 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.81 2.34 . . . . 1.0 111.94 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.507 ' H ' ' HG ' ' A' ' 110' ' ' SER . 21.2 m -98.89 152.03 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.486 -178.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 136' ' ' ASP . 0.3 OUTLIER -94.82 154.82 39.77 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.482 179.482 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -43.87 -32.13 4.15 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.839 2.359 . . . . 1.0 111.886 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.71 -30.9 63.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.348 178.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.488 ' N ' ' O ' ' A' ' 136' ' ' ASP . 5.6 t-80 -86.48 -34.59 20.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.274 177.401 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 79.1 t -48.26 -45.84 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.505 178.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.516 ' O ' ' N ' ' A' ' 145' ' ' SER . 84.4 t60 -68.17 -40.86 82.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.44 178.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -47.79 -59.42 3.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.486 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.28 -49.96 56.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.441 -179.29 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 147' ' ' GLY . 19.7 tptm -56.01 -40.81 73.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.491 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 141' ' ' HIS . 33.8 t -52.72 -29.51 27.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.509 178.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 46.6 mtt -87.77 -1.03 57.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.409 178.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 144' ' ' LYS . . . 72.77 22.42 79.06 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.401 HG12 ' H ' ' A' ' 170' ' ' HIS . 23.8 t -105.49 113.64 42.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.777 0.322 . . . . 1.0 110.729 179.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -79.24 -26.86 42.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.275 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' SER . . . . . 0.512 ' O ' ' CD2' ' A' ' 170' ' ' HIS . 29.5 t -148.4 116.66 6.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.161 -179.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 168' ' ' SER . 12.1 t -108.25 133.31 52.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 1.0 111.053 178.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 36.3 tp -97.63 126.43 42.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.01 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.512 HG22 ' O ' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -122.19 154.91 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.044 0.45 . . . . 1.0 111.158 -179.019 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.413 ' CG2' ' C ' ' A' ' 153' ' ' VAL . 0.9 OUTLIER -151.0 111.47 3.09 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.646 -0.706 . . . . 1.0 109.927 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -72.57 131.26 17.14 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.944 2.429 . . . . 1.0 112.688 -172.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 16.9 mt -103.5 94.63 5.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.16 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.617 ' SD ' ' NE2' ' A' ' 99' ' ' GLN . 16.2 ptm -116.06 136.31 53.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.767 -177.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . 0.498 ' CE1' ' CB ' ' A' ' 196' ' ' ALA . 31.1 t60 -115.85 122.25 44.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.424 176.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.442 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 16.0 t60 71.25 -110.8 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.353 -177.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -121.96 3.23 9.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.423 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.481 ' CG ' ' N ' ' A' ' 162' ' ' LEU . 47.9 tt0 -115.03 159.17 21.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.551 -177.096 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . 0.481 ' N ' ' CG ' ' A' ' 161' ' ' GLU . 11.3 mt -104.79 127.57 52.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.492 178.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -106.67 -41.17 5.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.872 -177.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -146.15 -179.92 22.69 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.209 -0.756 . . . . 1.0 111.209 -177.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 35.3 tp -149.63 135.86 19.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.693 0.282 . . . . 1.0 110.45 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 33.1 tp -100.47 142.89 31.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.578 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 10.8 p -148.03 138.44 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.715 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.414 ' O ' ' OG ' ' A' ' 151' ' ' SER . 0.0 OUTLIER -124.33 145.35 49.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.409 178.583 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -120.96 129.47 53.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.759 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . 0.512 ' CD2' ' O ' ' A' ' 150' ' ' SER . 4.6 p80 -166.99 161.09 14.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.502 179.284 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -65.06 -154.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.609 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . 0.43 ' OE2' ' OE1' ' A' ' 107' ' ' GLU . 4.2 pt-20 -120.9 80.52 33.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.581 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.94 -59.2 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.845 2.363 . . . . 1.0 112.068 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -154.93 151.74 23.86 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.459 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -49.42 168.57 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.789 2.326 . . . . 1.0 112.064 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -111.12 122.21 47.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.562 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 26.2 t -70.3 138.12 51.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.589 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -66.24 -35.32 80.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.481 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.32 -55.25 22.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.476 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -64.61 -31.47 72.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.358 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 26.5 tp -59.02 -41.43 87.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.447 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -59.14 -48.69 80.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.356 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 55.7 t -43.66 -50.09 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.149 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 187' ' ' LEU . 96.2 t -72.98 -39.33 57.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.188 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 -46.47 -38.95 9.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.068 178.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 27.2 tp -73.16 -34.23 65.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.027 178.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 184' ' ' VAL . 25.6 tp -56.1 -33.03 64.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.036 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -71.56 -35.17 70.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.106 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -59.14 -40.51 85.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.172 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -54.17 -56.33 19.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.208 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 92.5 t -55.58 -44.87 78.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.155 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 7.8 t -49.17 -33.98 13.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.153 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 69.1 mt -81.28 -36.31 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.157 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -64.72 -45.98 84.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.264 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 2.4 pp -68.1 -26.7 34.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.295 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . 0.498 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.12 -56.28 4.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.342 178.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -59.99 -25.34 65.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.356 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -74.15 -38.06 63.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.465 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -51.55 -37.23 48.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.387 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 41.4 mt -57.89 -57.55 12.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.476 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 84.1 p -50.51 -40.75 52.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.513 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 26.7 mt . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.988 -1.006 . . . . 1.0 110.618 179.68 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.796 0.331 . . . . 1.0 110.563 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -55.71 -37.96 69.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.538 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -74.13 -54.1 8.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.543 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.437 HD12 HG21 ' A' ' 34' ' ' ILE . 31.7 mm -53.05 -48.26 53.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.559 -178.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.497 ' O ' ' OG1' ' A' ' 38' ' ' THR . 88.3 mt -61.63 -28.0 69.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.616 -177.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.534 ' NH1' ' OE2' ' A' ' 40' ' ' GLU . 0.4 OUTLIER -55.31 -40.63 71.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.59 179.382 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.63 -29.51 51.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.639 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.64 ' HG1' ' N ' ' A' ' 39' ' ' VAL . 44.4 p -66.66 -46.01 77.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.633 178.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.64 ' N ' ' HG1' ' A' ' 38' ' ' THR . 86.7 t -56.37 -38.89 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.698 178.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.534 ' OE2' ' NH1' ' A' ' 36' ' ' ARG . 98.1 mt-10 -75.38 -38.22 60.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.538 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.403 ' C ' ' OE1' ' A' ' 41' ' ' GLU . 14.8 tm-20 -59.71 -48.24 82.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.508 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.9 t -63.2 -43.34 98.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.502 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 47' ' ' GLY . 54.4 ttp85 -47.85 -45.79 30.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.503 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.54 -40.76 95.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.567 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -72.61 -54.3 9.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.577 -178.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.592 ' O ' ' N ' ' A' ' 48' ' ' THR . 92.0 mt -78.75 0.85 25.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.58 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.34 20.44 0.03 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 178.042 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.592 ' N ' ' O ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -74.84 139.63 43.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 1.0 110.52 179.582 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 70' ' ' GLY . 89.7 m-20 -66.11 -29.96 70.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.678 -176.25 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.675 ' NE ' HH12 ' A' ' 69' ' ' ARG . 4.1 ttt180 -137.9 126.56 23.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.984 -175.401 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.431 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -148.89 132.15 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.858 -0.61 . . . . 1.0 109.784 175.89 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -144.14 153.12 41.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.929 0.395 . . . . 1.0 111.333 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.8 p -99.02 136.5 29.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.789 -0.641 . . . . 1.0 109.819 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -118.48 118.88 32.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.892 0.377 . . . . 1.0 111.186 -178.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -94.45 162.35 13.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.0 -0.545 . . . . 1.0 109.941 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -130.41 144.85 51.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.936 0.398 . . . . 1.0 110.879 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.487 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 2.2 m-20 -115.86 136.25 22.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.248 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -46.05 -28.17 5.03 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.733 2.289 . . . . 1.0 112.103 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -74.9 -8.3 56.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.388 -178.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.25 21.13 23.43 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.817 -0.913 . . . . 1.0 110.817 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.471 ' O ' ' N ' ' A' ' 57' ' ' ASP . 77.3 m80 -116.36 139.94 49.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.892 0.377 . . . . 1.0 110.697 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -130.92 152.05 19.81 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.589 -1.004 . . . . 1.0 110.589 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 81.8 p -136.24 156.56 48.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.766 0.317 . . . . 1.0 110.853 -178.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.6 t -100.72 115.22 41.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.282 176.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.9 m -104.38 2.46 10.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.787 -175.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -160.76 149.82 16.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.945 0.402 . . . . 1.0 110.884 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.41 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 88.9 tt0 -168.28 128.27 1.26 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.261 -179.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -126.16 128.82 47.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.848 178.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.703 ' NH2' ' H ' ' A' ' 74' ' ' LEU . 40.8 mtp85 -110.5 141.8 43.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.475 -179.211 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -91.66 -107.42 1.54 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -58.96 -11.07 9.96 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.741 -0.944 . . . . 1.0 110.741 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 69.35 63.33 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.353 . . . . 1.0 110.575 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.544 ' NH1' ' N ' ' A' ' 171' ' ' ALA . 5.3 ptm180 -87.37 -53.91 4.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.55 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.703 ' H ' ' NH2' ' A' ' 69' ' ' ARG . 6.8 mt -96.81 169.6 8.54 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.479 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.547 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 2.6 Cg_exo -77.47 175.48 11.24 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.766 2.31 . . . . 1.0 112.1 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 55.8 p -90.51 133.31 35.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.68 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.5 mt -104.99 -9.4 17.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.433 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.41 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 16.2 tp -49.17 137.38 13.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.548 -178.075 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.77 -1.2 71.07 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.904 -0.878 . . . . 1.0 110.904 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 94.9 mt -99.09 133.57 43.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.772 0.32 . . . . 1.0 110.576 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.23 122.61 36.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.627 178.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -98.03 140.77 22.12 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.533 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.73 144.85 25.19 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 122.808 2.339 . . . . 1.0 112.185 178.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.05 -32.48 74.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.667 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.63 -21.6 3.44 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.964 -0.854 . . . . 1.0 110.964 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.02 -32.89 71.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.839 0.352 . . . . 1.0 110.602 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.501 ' O ' ' O ' ' A' ' 88' ' ' PRO . 1.8 pt -120.64 94.6 48.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.514 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.501 ' O ' ' O ' ' A' ' 87' ' ' ILE . 92.5 Cg_exo -40.49 -106.26 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.783 2.322 . . . . 1.0 112.237 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -162.7 -51.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.561 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -47.8 -37.55 13.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.549 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.66 82.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.635 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 65.6 mtm180 -69.61 -24.8 63.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.534 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 97' ' ' LEU . 90.4 mtt-85 -57.53 -54.85 42.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.547 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.594 ' O ' ' N ' ' A' ' 98' ' ' ALA . 17.2 mt -52.49 -37.53 57.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.491 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.412 ' CE2' ' HA ' ' A' ' 101' ' ' ARG . 6.2 m-85 -65.58 -34.3 77.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.717 178.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 66.8 mtm180 -89.82 -20.95 22.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.62 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 93' ' ' ARG . 9.4 mp -102.99 -50.33 3.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.249 -177.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.594 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -97.44 -12.98 22.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.411 -176.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.507 ' C ' ' O ' ' A' ' 98' ' ' ALA . 87.0 mt-30 32.75 61.02 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.319 178.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.44 ' CG2' ' H ' ' A' ' 101' ' ' ARG . 34.7 m -104.93 -48.95 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.836 176.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.547 HH21 ' CG2' ' A' ' 154' ' ' VAL . 0.0 OUTLIER 54.23 58.32 5.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.242 172.459 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.465 ' CG1' ' OH ' ' A' ' 176' ' ' TYR . 27.0 t -148.85 125.27 2.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.552 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.496 ' CD1' ' N ' ' A' ' 103' ' ' ILE . 2.2 mp -107.34 132.97 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.712 177.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.5 m -82.75 169.04 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.342 -178.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.465 ' C ' ' H ' ' A' ' 107' ' ' GLU . 9.0 m-20 -53.97 120.61 6.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.468 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.1 p -51.93 -11.78 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.551 179.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.725 ' C ' ' H ' ' A' ' 109' ' ' GLN . 6.3 pt-20 -95.8 -26.34 15.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.366 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.484 ' O ' ' HB2' ' A' ' 109' ' ' GLN . . . -62.84 23.45 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.725 ' H ' ' C ' ' A' ' 107' ' ' GLU . 77.8 mt-30 73.02 49.61 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.73 177.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 38.7 m -86.48 117.38 25.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.386 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -155.86 120.14 4.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.787 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.603 ' OG ' ' N ' ' A' ' 136' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.192 178.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.772 0.32 . . . . 1.0 110.453 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.484 HH21 ' CB ' ' A' ' 98' ' ' ALA . 23.8 mmt180 -136.08 123.76 14.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.649 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -79.39 141.25 15.82 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.749 2.299 . . . . 1.0 112.013 177.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 2.2 t -123.54 132.25 71.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.549 -179.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.603 ' N ' ' OG ' ' A' ' 112' ' ' SER . 3.2 m-20 -42.95 158.74 0.22 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.442 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -50.38 -10.88 0.28 Allowed 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.868 2.378 . . . . 1.0 111.834 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . 0.434 ' H ' ' C ' ' A' ' 136' ' ' ASP . 1.1 m -58.18 -47.9 81.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.361 178.115 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -32.46 67.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.267 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 76.6 t -53.79 -63.06 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.468 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 145' ' ' SER . 84.4 t60 -69.26 -48.84 60.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.381 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . 0.533 ' CZ ' ' CE ' ' A' ' 146' ' ' MET . 76.9 t80 -48.16 -53.6 16.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.502 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.7 tp -67.95 -50.0 58.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.41 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 147' ' ' GLY . 24.5 tptp -56.63 -41.38 77.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.424 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.523 ' OG ' ' O ' ' A' ' 142' ' ' TYR . 74.8 p -52.27 -26.4 11.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.502 179.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' MET . . . . . 0.533 ' CE ' ' CZ ' ' A' ' 142' ' ' TYR . 5.8 mtt -90.84 -0.65 57.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.422 177.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 144' ' ' LYS . . . 70.97 22.92 78.48 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.443 HG12 ' N ' ' A' ' 170' ' ' HIS . 14.6 t -110.7 121.0 62.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.796 0.331 . . . . 1.0 110.67 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -93.66 -22.97 18.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.291 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 47.4 t -106.86 137.95 43.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.126 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 2.4 p -141.86 105.0 4.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.938 0.399 . . . . 1.0 111.032 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 28.0 tp -103.88 119.91 39.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.933 -0.576 . . . . 1.0 109.996 177.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.458 ' CG2' ' N ' ' A' ' 154' ' ' VAL . 2.2 p -115.97 155.85 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.054 0.454 . . . . 1.0 111.247 -177.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.547 ' CG2' HH21 ' A' ' 101' ' ' ARG . 7.0 p -160.6 100.64 1.34 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.765 -0.652 . . . . 1.0 109.934 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' PRO . . . . . 0.402 ' CD ' ' HG2' ' A' ' 101' ' ' ARG . 48.3 Cg_endo -68.88 156.59 64.9 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.838 2.359 . . . . 1.0 112.736 -175.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 26.3 mt -118.15 95.72 5.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.233 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 21.2 ptm -115.13 138.82 50.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.744 -178.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . 0.417 ' CE1' ' CB ' ' A' ' 196' ' ' ALA . 71.3 t60 -113.33 124.38 52.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.389 177.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.406 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 80.2 t60 65.82 -106.79 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.412 -178.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . 0.614 ' O ' ' NE2' ' A' ' 160' ' ' GLN . 35.6 tp60 -120.95 -1.23 9.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.409 -178.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -113.14 156.66 22.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.611 -176.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 6.1 tt -107.47 125.52 51.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.448 178.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -100.32 -39.87 7.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.833 -177.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -149.05 -178.21 23.88 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.228 -0.749 . . . . 1.0 111.228 -177.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 5.1 tp -144.71 132.7 21.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.699 0.285 . . . . 1.0 110.475 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 18.7 tp -105.34 150.55 25.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.587 178.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 9.4 p -153.04 147.02 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.699 -178.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.507 ' O ' ' ND1' ' A' ' 169' ' ' HIS . 24.5 t -127.43 141.56 51.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.321 178.304 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' HIS . . . . . 0.507 ' ND1' ' O ' ' A' ' 168' ' ' SER . 11.7 m-70 -139.93 135.13 32.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.739 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . 0.525 ' ND1' ' OG1' ' A' ' 48' ' ' THR . 2.1 p-80 -170.87 167.16 7.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.457 -179.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.544 ' N ' ' NH1' ' A' ' 73' ' ' ARG . . . -53.91 -169.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.581 179.132 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -117.62 81.78 15.12 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.577 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -84.37 -56.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.836 2.358 . . . . 1.0 112.122 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -146.8 153.13 45.98 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.498 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -65.28 176.67 3.08 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.771 2.314 . . . . 1.0 112.069 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 176' ' ' TYR . . . . . 0.487 ' CD1' ' O ' ' A' ' 176' ' ' TYR . 30.1 p90 -117.66 134.7 54.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.663 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 57.8 m -85.74 144.39 27.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.534 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -66.72 -35.83 81.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.491 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -60.95 -48.98 79.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.509 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -70.11 -31.23 68.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.475 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 29.4 tp -56.45 -35.74 68.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.43 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -70.58 -50.42 37.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.364 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 62.0 t -43.8 -49.21 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.124 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 187' ' ' LEU . 5.8 p -73.78 -37.6 49.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.209 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -45.85 -37.63 6.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.134 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 61.7 mt -70.11 -36.21 74.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.088 177.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 184' ' ' VAL . 1.4 tt -55.4 -33.37 63.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.038 -0.528 . . . . 1.0 109.999 178.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -74.41 -37.57 63.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.074 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -56.16 -38.97 71.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.148 178.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . 0.454 ' O ' ' CG2' ' A' ' 193' ' ' ILE . 94.5 mt-30 -54.71 -48.51 72.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.133 179.147 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 59.9 t -60.58 -45.35 97.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.144 178.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 16.5 m -49.95 -46.67 52.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.101 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . 0.454 ' CG2' ' O ' ' A' ' 190' ' ' GLN . 13.3 tt -77.79 -27.19 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.147 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -67.76 -45.54 74.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.233 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 17.7 pt -71.78 -20.92 20.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.276 179.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . 0.417 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -76.12 -56.37 4.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.282 178.143 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -61.49 -24.22 66.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.366 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -73.32 -38.18 65.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.471 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -53.22 -37.78 62.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.424 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . 0.401 ' CD2' ' C ' ' A' ' 200' ' ' LEU . 3.1 tt -59.53 -60.46 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.477 -179.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 18.8 m -57.1 -44.63 83.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.488 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . 0.456 ' CD1' ' N ' ' A' ' 202' ' ' LEU . 10.0 mp . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 118.035 -0.983 . . . . 1.0 110.557 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.2 tp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.793 0.33 . . . . 1.0 110.624 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -56.48 -36.45 69.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.611 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -73.25 -53.34 11.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.584 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.489 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.6 mp -50.91 -54.58 9.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.603 -178.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.513 ' O ' ' OG1' ' A' ' 38' ' ' THR . 73.4 mt -57.9 -31.66 66.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.615 -177.559 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -51.04 -39.93 57.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.573 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.25 -27.64 38.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.602 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.513 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 43.4 p -67.39 -43.76 80.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.688 178.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 57.9 t -58.94 -39.64 78.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.654 178.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -73.69 -45.45 52.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.582 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -58.15 -49.31 77.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.532 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.0 t -60.61 -45.45 97.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.428 179.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' A' ' 47' ' ' GLY . 41.2 ttp180 -48.32 -44.06 33.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.515 179.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.02 -41.01 95.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.541 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -71.85 -52.53 16.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.578 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.573 ' O ' ' N ' ' A' ' 48' ' ' THR . 66.0 mt -79.77 1.84 25.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.519 178.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.15 21.39 0.03 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.992 -0.843 . . . . 1.0 110.992 178.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.573 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.4 m -72.57 136.76 45.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.815 0.341 . . . . 1.0 110.615 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.535 ' O ' ' N ' ' A' ' 70' ' ' GLY . 4.3 p30 -69.26 -26.67 64.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.579 -177.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.568 ' NH2' ' OE2' ' A' ' 67' ' ' GLU . 26.1 ttt-85 -143.01 120.35 11.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.965 0.412 . . . . 1.0 111.003 -177.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.4 p -150.1 137.84 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.837 -0.62 . . . . 1.0 109.807 177.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -145.78 164.98 30.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.003 0.43 . . . . 1.0 111.235 -179.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.9 p -110.26 138.37 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.774 -0.648 . . . . 1.0 109.871 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -120.8 119.68 33.4 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.802 -0.359 . . . . 1.0 111.218 -178.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -94.36 163.1 13.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.009 -0.541 . . . . 1.0 109.875 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.531 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 70.8 t80 -130.03 145.38 51.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.04 0.448 . . . . 1.0 110.817 -178.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.531 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 8.1 m-20 -114.51 147.59 38.41 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.309 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.92 -24.2 71.61 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.683 2.256 . . . . 1.0 112.037 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -77.94 -1.26 31.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.42 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.27 22.08 36.14 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.811 -0.916 . . . . 1.0 110.811 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.518 ' O ' ' N ' ' A' ' 57' ' ' ASP . 76.1 m80 -119.54 143.57 47.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.811 0.339 . . . . 1.0 110.739 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -134.91 156.32 22.45 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.612 -0.995 . . . . 1.0 110.612 178.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.3 m -137.71 159.08 42.97 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.854 -0.339 . . . . 1.0 110.758 -178.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.7 t -98.44 111.29 27.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.135 175.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.4 m -99.43 1.96 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.825 -175.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -164.17 150.1 10.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.903 0.383 . . . . 1.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.568 ' OE2' ' NH2' ' A' ' 50' ' ' ARG . 42.1 tt0 -167.66 127.44 1.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.323 -179.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -123.38 136.28 54.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.839 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 49' ' ' ASP . 83.5 mtm180 -120.26 142.63 48.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.509 -179.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -94.77 -108.6 2.17 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.896 -0.882 . . . . 1.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -55.72 -5.55 0.91 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.841 -0.904 . . . . 1.0 110.841 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.512 ' H ' ' C ' ' A' ' 70' ' ' GLY . 68.2 tt0 64.94 58.04 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.75 0.31 . . . . 1.0 110.582 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.5 ' CZ ' ' OD2' ' A' ' 49' ' ' ASP . 16.5 ptp180 -86.02 -48.8 8.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.513 178.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.425 ' N ' ' CG ' ' A' ' 73' ' ' ARG . 11.9 mt -97.67 152.04 37.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.484 178.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -67.88 171.87 11.61 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.729 2.286 . . . . 1.0 112.111 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.4 p -88.2 128.1 35.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.669 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.9 mt -104.82 -11.52 16.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.475 -179.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.0 tp -41.05 136.52 1.49 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.519 -178.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.09 -1.79 78.04 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.847 -0.901 . . . . 1.0 110.847 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.2 tp -93.88 127.75 39.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.762 0.315 . . . . 1.0 110.561 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.6 p -91.23 120.78 32.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.594 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -94.37 139.09 22.3 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.526 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.26 136.95 18.49 Favored 'Trans proline' 0 C--N 1.304 -1.81 0 C-N-CA 122.921 2.414 . . . . 1.0 112.204 178.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.93 -34.34 65.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.613 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.76 -22.35 4.18 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.027 -0.829 . . . . 1.0 111.027 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -60.29 -32.54 71.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.819 0.342 . . . . 1.0 110.628 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.582 ' O ' ' O ' ' A' ' 88' ' ' PRO . 23.4 mm -108.9 103.8 52.98 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.536 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.582 ' O ' ' O ' ' A' ' 87' ' ' ILE . 89.3 Cg_exo -46.42 -121.91 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.78 2.32 . . . . 1.0 112.198 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -158.96 -38.43 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.592 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -64.85 -38.02 89.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.583 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.5 ' O ' ' CD1' ' A' ' 95' ' ' PHE . . . -63.96 -34.46 78.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.526 -179.277 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -69.85 -23.42 63.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.556 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 21.1 mtp-105 -55.59 -57.07 13.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.472 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.634 ' O ' ' N ' ' A' ' 98' ' ' ALA . 58.8 mt -56.48 -33.59 66.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.474 -179.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.669 ' CZ ' ' NH1' ' A' ' 101' ' ' ARG . 3.2 m-85 -63.56 -29.93 71.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.721 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 94.6 mtm-85 -88.65 -23.23 23.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.72 -178.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.406 ' N ' ' CD1' ' A' ' 97' ' ' LEU . 9.9 mp -107.22 -43.27 4.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.22 -177.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.634 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -89.12 -31.89 17.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.45 -175.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 98' ' ' ALA . 94.2 mt-30 37.43 64.82 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.328 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.503 ' N ' ' HE ' ' A' ' 101' ' ' ARG . 2.0 m -120.97 -43.52 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.783 176.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.841 ' H ' ' CZ ' ' A' ' 101' ' ' ARG . 0.2 OUTLIER 57.48 66.69 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.309 173.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 8.0 p -146.74 124.71 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.591 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.7 mp -108.96 134.37 51.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.743 177.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.494 ' CG2' ' N ' ' A' ' 105' ' ' ASP . 12.6 p -80.41 169.59 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.313 -178.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.494 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 3.5 m-20 -48.16 119.29 2.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.397 -178.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.89 -11.14 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.523 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.588 ' C ' ' H ' ' A' ' 109' ' ' GLN . 4.3 pt-20 -84.82 -29.5 25.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.349 179.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.462 ' O ' ' CG ' ' A' ' 109' ' ' GLN . . . -57.22 -0.73 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.387 178.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.588 ' H ' ' C ' ' A' ' 107' ' ' GLU . 15.6 pt20 39.98 50.52 2.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.68 179.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 135' ' ' VAL . 53.8 p -89.95 135.31 33.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.424 174.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 77.0 mtm180 -120.54 138.78 53.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.849 -175.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.17 176.57 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.787 0.327 . . . . 1.0 110.45 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.7 84.21 48.96 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.623 179.334 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -49.39 149.66 9.13 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 122.78 2.32 . . . . 1.0 111.978 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.533 ' CG1' ' ND1' ' A' ' 139' ' ' HIS . 15.8 m -100.91 153.68 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.532 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' A' ' 136' ' ' ASP . 0.0 OUTLIER -94.81 158.24 35.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.47 -178.353 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -47.39 -26.97 6.5 Favored 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.788 2.325 . . . . 1.0 111.928 -178.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 139' ' ' HIS . 0.1 OUTLIER -76.97 -37.84 54.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.386 178.352 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.533 ' ND1' ' CG1' ' A' ' 135' ' ' VAL . 52.0 t-80 -84.34 -43.01 15.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.232 -177.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.522 ' CG2' ' N ' ' A' ' 141' ' ' HIS . 3.1 m -47.34 -44.37 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.539 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.522 ' N ' ' CG2' ' A' ' 140' ' ' VAL . 83.5 t60 -64.79 -37.89 89.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.473 177.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -48.05 -54.38 13.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.457 178.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 86.4 mt -66.83 -51.15 59.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.355 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -57.25 -41.15 79.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.428 -179.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 141' ' ' HIS . 32.7 t -54.36 -28.15 41.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.5 178.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 43.7 mtt -91.84 0.89 57.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.522 177.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 69.84 23.82 76.7 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.915 -0.874 . . . . 1.0 110.915 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 6.3 t -108.03 115.56 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 1.0 110.668 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -82.24 -30.74 30.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.228 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 73.0 m -106.77 141.51 37.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.139 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 8.7 p -140.5 121.01 14.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.914 0.388 . . . . 1.0 111.137 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 64.8 tp -115.07 129.29 56.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.013 177.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.426 ' O ' ' CG2' ' A' ' 154' ' ' VAL . 2.9 p -117.69 155.7 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.07 0.462 . . . . 1.0 111.204 -177.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.521 ' O ' ' HB3' ' A' ' 166' ' ' LEU . 49.8 t -159.17 111.14 1.55 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.701 -0.682 . . . . 1.0 109.965 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -83.94 152.72 12.86 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 122.923 2.415 . . . . 1.0 112.735 -179.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 41.0 mt -117.79 96.72 5.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.211 178.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 19.5 ptm -119.64 137.36 53.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.762 -178.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . 0.513 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 35.7 t-80 -119.82 123.88 44.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.053 -0.522 . . . . 1.0 110.456 177.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.486 ' CB ' ' O ' ' A' ' 158' ' ' HIS . 23.7 t-80 79.01 -114.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.373 -178.248 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . 0.404 ' H ' ' HB3' ' A' ' 159' ' ' HIS . 13.1 pt20 -121.01 4.18 10.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.44 -179.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -117.77 162.0 18.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.588 -177.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 6.9 mp -105.34 124.02 48.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.463 177.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -100.22 -39.85 7.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.871 -177.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -148.48 -177.66 22.93 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.203 -0.759 . . . . 1.0 111.203 -178.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 3.6 tp -145.16 130.27 18.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.788 0.328 . . . . 1.0 110.456 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.521 ' HB3' ' O ' ' A' ' 154' ' ' VAL . 12.4 tp -105.93 140.73 38.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.606 177.406 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . 0.512 ' CG1' ' NE2' ' A' ' 169' ' ' HIS . 37.2 t -148.13 137.27 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.696 -176.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 1.1 p -123.85 142.22 51.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.428 178.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' HIS . . . . . 0.512 ' NE2' ' CG1' ' A' ' 167' ' ' VAL . 88.1 m-70 -139.51 142.73 37.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.766 -179.381 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . 0.549 ' ND1' ' OG1' ' A' ' 48' ' ' THR . 1.2 p-80 -172.67 168.59 5.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.474 -179.088 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -53.51 -174.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.61 178.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 55.2 tt0 -117.63 82.42 15.97 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.578 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -85.31 -35.24 0.16 Allowed 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.842 2.361 . . . . 1.0 112.098 179.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -160.64 154.0 18.48 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.456 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.73 179.56 2.59 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.764 2.309 . . . . 1.0 112.059 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -101.51 125.0 48.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.658 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 59.9 p -85.35 147.8 26.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.613 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -66.95 -35.53 80.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.457 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.3 -46.51 90.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.474 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -74.25 -31.99 62.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.432 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 20.1 tp -50.83 -52.67 39.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.397 -179.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -60.97 -51.89 67.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.273 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 93.9 t -43.11 -47.85 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.186 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 90.9 t -75.12 -35.67 35.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.147 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -50.4 -42.06 53.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.1 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 26.1 tp -73.22 -33.95 65.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.075 178.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 11.5 tp -57.14 -30.74 64.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.148 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -72.29 -39.17 68.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.082 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -58.2 -39.33 78.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.183 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -54.24 -56.64 16.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.181 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 95.2 t -56.33 -42.8 75.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.126 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 4.5 m -49.52 -33.6 15.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.098 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 70.0 mt -81.24 -33.97 13.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.062 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -69.21 -46.23 67.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.277 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 19.4 tt -64.18 -33.66 63.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.238 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . 0.513 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -75.75 -55.36 5.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.356 179.074 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -56.07 -25.99 47.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.431 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -75.63 -34.85 60.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.51 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -54.19 -39.67 66.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.42 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . 0.463 ' CD1' ' N ' ' A' ' 200' ' ' LEU . 9.4 mp -56.68 -62.52 1.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.548 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 22.7 m -61.73 -46.29 90.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.434 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 16.2 tp . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.979 -1.01 . . . . 1.0 110.526 179.857 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.2 tp . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.808 0.337 . . . . 1.0 110.589 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 65' ' ' VAL . 51.3 t0 -64.99 -33.49 76.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.604 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -77.07 -54.84 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.55 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.489 HD12 HG21 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -56.32 -35.67 43.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.519 -178.15 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.445 ' O ' ' OG1' ' A' ' 38' ' ' THR . 84.7 mt -73.01 -27.58 61.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.637 -179.464 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.411 ' O ' HG11 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -58.51 -34.38 70.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.602 179.296 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.46 -23.27 34.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.626 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 72.9 p -75.97 -47.21 25.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.672 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' A' ' 40' ' ' GLU . 7.8 p -58.3 -42.13 82.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.691 -178.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.453 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 23.6 pt-20 -75.86 -38.87 57.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.573 -178.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.4 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 41.0 mm-40 -63.8 -42.34 97.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.511 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.54 -51.61 61.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.49 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.572 ' O ' ' N ' ' A' ' 47' ' ' GLY . 34.5 ttp180 -47.32 -40.44 17.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.536 179.3 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.16 -37.6 80.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.575 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -78.74 -50.48 11.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.529 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.533 ' O ' ' N ' ' A' ' 48' ' ' THR . 57.7 mt -77.89 -5.29 50.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.542 179.099 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.572 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 42.55 19.13 0.05 OUTLIER Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 178.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.533 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.7 m -71.78 137.17 47.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.814 0.34 . . . . 1.0 110.559 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' A' ' 70' ' ' GLY . 87.7 m-20 -53.54 -42.94 67.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.597 -177.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.546 ' NH2' ' O ' ' A' ' 75' ' ' PRO . 21.8 ttm180 -136.2 126.44 26.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.018 -175.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.4 t -142.2 129.85 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.902 -0.59 . . . . 1.0 109.893 175.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.0 pttt -144.13 154.42 43.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.128 0.49 . . . . 1.0 111.25 -177.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 56.3 t -101.08 137.54 28.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.721 -0.672 . . . . 1.0 109.886 178.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.425 ' CZ ' ' HA3' ' A' ' 62' ' ' GLY . 14.0 t80 -122.84 119.88 31.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.927 0.394 . . . . 1.0 111.268 -179.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.483 ' CG ' ' N ' ' A' ' 56' ' ' PHE . 50.2 ttm-85 -94.33 164.8 12.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.012 -0.54 . . . . 1.0 109.903 -179.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.483 ' N ' ' CG ' ' A' ' 55' ' ' ARG . 82.3 t80 -129.67 145.93 51.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.001 0.429 . . . . 1.0 110.879 -178.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 21.7 t70 -117.41 134.05 23.16 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.336 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -44.15 -29.3 2.76 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.711 2.274 . . . . 1.0 112.049 179.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -73.76 -8.22 55.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.451 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.19 18.5 31.13 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.86 -0.896 . . . . 1.0 110.86 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.474 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 96.2 m-70 -116.12 140.96 48.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.843 0.354 . . . . 1.0 110.733 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.425 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -135.22 157.93 23.36 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.567 -1.013 . . . . 1.0 110.567 179.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 81.0 p -139.38 159.3 42.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 1.0 110.739 -178.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.9 t -98.55 114.61 36.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.205 176.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.411 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 12.1 m -101.24 2.79 10.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.829 -177.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -161.46 148.81 14.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.378 . . . . 1.0 110.904 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.522 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 88.7 tt0 -165.88 125.27 1.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.312 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -121.32 130.74 53.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.799 178.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.514 ' O ' ' NH1' ' A' ' 43' ' ' ARG . 67.8 mtm180 -111.66 140.24 46.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.51 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -91.15 -111.43 1.65 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 72' ' ' GLU . . . -57.04 -18.64 27.66 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.783 -0.927 . . . . 1.0 110.783 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.477 ' CB ' ' O ' ' A' ' 71' ' ' GLY . 41.6 tt0 79.27 60.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.77 0.319 . . . . 1.0 110.602 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.445 ' HG3' ' H ' ' A' ' 74' ' ' LEU . 6.6 ptm180 -87.09 -49.76 7.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.487 178.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.445 ' H ' ' HG3' ' A' ' 73' ' ' ARG . 17.9 mt -99.24 166.54 12.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.506 178.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.546 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 4.7 Cg_exo -78.64 174.26 12.55 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.782 2.321 . . . . 1.0 112.066 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 34.5 t -90.19 132.27 35.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.724 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' A' ' 80' ' ' LEU . 37.2 mt -106.42 -11.57 15.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.504 -178.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.522 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 21.3 tp -40.24 135.37 1.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.558 -178.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.57 -0.25 67.71 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.901 -0.88 . . . . 1.0 110.901 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 3.6 tt -94.03 126.27 39.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 1.0 110.516 -179.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.422 ' N ' HD23 ' A' ' 80' ' ' LEU . 2.0 p -95.33 129.48 42.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.547 178.339 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.43 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 23.4 m-85 -104.27 147.71 34.79 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.556 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -79.65 145.37 18.23 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.902 2.401 . . . . 1.0 112.219 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.38 -34.21 66.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.65 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.28 -25.3 18.6 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.997 -0.841 . . . . 1.0 110.997 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -57.24 -30.23 64.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.35 . . . . 1.0 110.574 -179.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.565 ' O ' ' O ' ' A' ' 88' ' ' PRO . 38.5 mm -113.47 98.76 47.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.582 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.565 ' O ' ' O ' ' A' ' 87' ' ' ILE . 74.8 Cg_exo -48.81 -127.11 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.858 2.372 . . . . 1.0 112.189 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -148.83 -64.36 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.568 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -46.13 -39.72 9.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.574 -178.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.21 -49.15 53.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.535 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -60.88 -27.15 67.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.559 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 96' ' ' ARG . 61.7 mtp85 -61.94 -47.29 85.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.473 -178.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.541 ' O ' ' N ' ' A' ' 98' ' ' ALA . 16.6 mt -48.39 -45.4 35.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.538 -179.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -63.61 -25.02 68.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.79 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 93' ' ' ARG . 48.4 mtp85 -87.85 -22.48 24.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.716 179.27 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.0 mt -103.37 -47.6 4.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.2 -178.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -98.95 -15.19 19.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.433 -175.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.489 ' C ' ' O ' ' A' ' 98' ' ' ALA . 87.0 mt-30 34.57 63.23 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.384 178.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 12.7 t -96.09 -47.09 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.828 177.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.685 HH11 HE22 ' A' ' 185' ' ' GLN . 8.1 mtt180 61.1 50.27 5.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.289 173.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 71.5 t -152.52 127.16 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.614 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.483 ' CD1' ' N ' ' A' ' 103' ' ' ILE . 1.9 mp -107.41 136.85 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.694 177.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.463 ' CG1' ' N ' ' A' ' 105' ' ' ASP . 54.9 t -81.88 167.8 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.35 -178.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.463 ' N ' ' CG1' ' A' ' 104' ' ' VAL . 44.2 m-20 -52.57 121.3 6.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.399 -178.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.8 m -58.79 -10.04 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.565 178.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -78.8 -34.87 45.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.283 -179.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.37 -10.89 1.53 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.34 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 48.4 59.98 3.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.691 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.541 ' O ' ' O ' ' A' ' 135' ' ' VAL . 2.5 t -86.35 142.4 28.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.359 175.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -121.77 125.6 46.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.797 -178.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.459 ' O ' ' CG ' ' A' ' 136' ' ' ASP . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.233 178.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.804 0.335 . . . . 1.0 110.393 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.569 ' CA ' ' HE ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -113.2 103.34 55.57 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.663 179.758 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -76.91 142.59 22.42 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.762 2.308 . . . . 1.0 112.02 -178.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.541 ' O ' ' O ' ' A' ' 110' ' ' SER . 16.2 m -100.92 159.43 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.565 -179.018 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.618 ' OD1' ' N ' ' A' ' 136' ' ' ASP . 0.0 OUTLIER -92.27 152.58 42.59 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.472 -179.326 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . 0.556 ' O ' ' CD2' ' A' ' 141' ' ' HIS . 3.4 Cg_endo -45.34 -34.88 10.86 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.859 2.373 . . . . 1.0 111.933 -178.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . 0.573 ' SG ' ' N ' ' A' ' 139' ' ' HIS . 0.1 OUTLIER -66.12 -44.0 85.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.458 177.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.573 ' N ' ' SG ' ' A' ' 138' ' ' CYS . 38.3 t-80 -76.13 -32.5 59.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.316 178.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 52.6 t -51.59 -53.85 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.42 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.556 ' CD2' ' O ' ' A' ' 137' ' ' PRO . 11.1 m-70 -62.1 -41.92 98.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.465 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -44.41 -48.02 9.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.38 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 7.9 mp -70.11 -49.81 47.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.313 178.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -55.34 -41.46 72.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.414 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 21.8 m -53.91 -27.1 28.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.49 179.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 55.4 mtt -90.09 0.77 56.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.476 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 68.45 24.88 75.06 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.936 -0.866 . . . . 1.0 110.936 178.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 148' ' ' VAL . 3.7 p -109.69 124.54 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 1.0 110.699 178.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -86.62 -33.15 20.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.287 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 67.1 m -112.27 152.88 27.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.098 -178.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.9 m -150.58 116.23 5.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.013 0.435 . . . . 1.0 111.06 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 47.1 tp -104.13 133.45 49.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.933 -0.576 . . . . 1.0 109.927 178.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.427 ' C ' ' CG2' ' A' ' 154' ' ' VAL . 9.8 p -128.65 151.97 36.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.055 0.455 . . . . 1.0 111.175 -178.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.427 ' CG2' ' C ' ' A' ' 153' ' ' VAL . 1.3 t -151.75 78.34 6.82 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 115.655 -0.702 . . . . 1.0 109.977 -179.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -51.82 152.62 13.08 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.862 2.374 . . . . 1.0 112.728 -176.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 28.2 mt -112.54 97.45 6.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.2 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 43.8 mtp -106.93 124.3 49.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.708 -178.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . 0.442 ' O ' ' HB3' ' A' ' 159' ' ' HIS . 26.1 t-80 -110.99 123.8 50.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.383 176.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.442 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 76.5 t60 69.56 -113.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.357 -177.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . 0.421 ' N ' ' CG ' ' A' ' 159' ' ' HIS . 16.9 tt0 -120.82 4.65 10.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.441 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -117.63 167.93 10.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.598 -177.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 5.8 tt -104.3 121.54 43.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.451 178.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' TRP . . . . . 0.445 ' CD1' ' N ' ' A' ' 163' ' ' TRP . 25.7 m95 -104.72 -40.89 5.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.867 -176.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -139.64 172.42 23.33 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.28 -0.728 . . . . 1.0 111.28 -178.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 5.6 tp -144.26 128.37 17.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.714 0.293 . . . . 1.0 110.477 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 11.7 tp -104.48 135.67 45.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.636 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 38.3 t -139.58 138.35 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.732 -178.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' SER . . . . . 0.602 ' O ' ' ND1' ' A' ' 169' ' ' HIS . 0.1 OUTLIER -126.69 136.12 52.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.433 178.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' HIS . . . . . 0.602 ' ND1' ' O ' ' A' ' 168' ' ' SER . 0.7 OUTLIER -134.53 138.55 44.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.951 0.405 . . . . 1.0 110.703 -179.681 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . 0.512 ' ND1' ' OG1' ' A' ' 48' ' ' THR . 1.3 p-80 -170.85 167.41 7.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.492 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.429 ' N ' ' NH1' ' A' ' 73' ' ' ARG . . . -56.39 -170.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.644 178.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -118.43 80.93 16.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.621 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -84.79 -54.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.859 2.373 . . . . 1.0 112.092 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -146.94 152.85 44.94 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.563 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.42 174.8 5.74 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.769 2.313 . . . . 1.0 112.101 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 176' ' ' TYR . . . . . 0.437 ' CD1' ' O ' ' A' ' 176' ' ' TYR . 20.1 p90 -116.82 139.01 51.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.613 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 73.8 p -92.32 147.78 22.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.546 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -66.5 -34.98 79.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.425 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -59.78 -50.23 74.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.401 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -69.44 -31.3 69.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.42 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 30.0 tp -56.77 -36.7 70.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.447 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -68.07 -50.89 52.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.291 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 55.8 t -43.45 -50.89 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.202 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 29.2 m -73.98 -35.41 42.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.174 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.685 HE22 HH11 ' A' ' 101' ' ' ARG . 54.0 tp60 -46.61 -32.95 3.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.075 177.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 26.4 tp -74.72 -41.64 59.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.062 178.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 4.1 mt -53.42 -33.17 52.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.018 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -76.73 -40.66 47.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.074 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -57.62 -39.23 76.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.2 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -53.59 -51.81 61.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.101 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 95.2 t -53.67 -42.31 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.085 179.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 2.8 m -49.61 -36.18 23.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.046 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . 0.423 ' CD1' ' N ' ' A' ' 193' ' ' ILE . 1.6 mp -81.02 -32.87 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.147 179.285 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -69.15 -47.28 65.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.236 -178.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 2.2 pp -66.38 -32.55 58.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.247 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -74.61 -55.55 5.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.379 178.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -58.81 -25.54 63.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.306 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -74.59 -37.04 62.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.485 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -52.17 -37.73 55.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.484 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . 0.442 ' CD1' ' N ' ' A' ' 200' ' ' LEU . 9.7 mp -59.78 -57.14 14.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.56 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 23.0 t -50.93 -41.85 59.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.488 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 20.4 mt . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.003 -0.998 . . . . 1.0 110.563 179.845 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.9 tp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.803 0.335 . . . . 1.0 110.528 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.8 p-10 -56.54 -31.96 64.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.619 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -77.57 -47.5 19.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.594 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.545 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.4 mp -63.06 -32.76 57.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.608 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.45 ' O ' HG22 ' A' ' 38' ' ' THR . 95.9 mt -79.22 -21.16 46.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.561 -179.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.427 ' O ' HG12 ' A' ' 39' ' ' VAL . 20.6 ttm180 -75.13 -34.05 61.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.543 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.35 -29.85 25.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.677 -178.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.533 ' CG2' ' N ' ' A' ' 39' ' ' VAL . 2.6 t -74.4 -42.76 58.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.607 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.533 ' N ' ' CG2' ' A' ' 38' ' ' THR . 6.3 p -56.3 -39.89 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.642 -179.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.451 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 23.0 pt-20 -77.94 -33.28 51.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.551 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.42 -44.45 95.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.503 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.76 -44.52 96.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.453 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.564 ' O ' ' N ' ' A' ' 47' ' ' GLY . 55.3 ttp85 -47.83 -45.14 29.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.565 179.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.05 -38.12 81.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.519 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -76.41 -52.57 9.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.469 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.572 ' O ' ' N ' ' A' ' 48' ' ' THR . 10.9 mp -78.93 -4.37 49.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.541 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 41.05 19.76 0.03 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 178.425 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.572 ' N ' ' O ' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -73.69 140.92 46.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.765 0.317 . . . . 1.0 110.644 179.617 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.447 ' O ' ' HA ' ' A' ' 69' ' ' ARG . 96.1 m-20 -48.28 -45.56 34.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.564 -176.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -142.59 140.1 31.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.998 0.428 . . . . 1.0 111.011 -175.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -146.1 135.28 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.891 -0.595 . . . . 1.0 109.843 175.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -142.78 155.45 44.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.97 0.414 . . . . 1.0 111.289 -179.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.6 p -103.55 137.45 31.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.747 -0.661 . . . . 1.0 109.843 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -120.01 118.96 32.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.939 0.4 . . . . 1.0 111.231 -178.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -94.47 165.33 12.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.008 -0.542 . . . . 1.0 109.929 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.518 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 77.3 t80 -130.21 145.14 51.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.95 0.405 . . . . 1.0 110.835 -178.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.518 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 1.2 m-20 -115.12 148.12 39.93 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.238 179.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.01 -21.89 60.86 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.713 2.276 . . . . 1.0 112.036 -178.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' A' ' 59' ' ' GLU . 58.4 mp0 -79.81 -5.99 56.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.49 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 100.08 -12.12 60.48 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.784 -0.926 . . . . 1.0 110.784 178.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -84.2 141.95 30.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.879 0.371 . . . . 1.0 110.758 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -131.2 151.74 19.78 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.59 -1.004 . . . . 1.0 110.59 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 77.9 p -136.46 156.73 48.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 1.0 110.778 -177.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.4 t -101.31 118.75 48.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.256 175.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.6 m -105.18 2.39 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.858 -175.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -157.14 147.47 21.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.91 0.386 . . . . 1.0 110.927 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.469 ' CD ' ' H ' ' A' ' 77' ' ' LEU . 55.3 tt0 -166.47 124.09 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.235 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -129.74 147.7 51.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.794 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.447 ' HA ' ' O ' ' A' ' 49' ' ' ASP . 5.1 ptp85 -145.09 149.98 36.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.493 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.5 ' C ' ' H ' ' A' ' 72' ' ' GLU . . . -101.88 -99.98 2.46 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.831 -0.908 . . . . 1.0 110.831 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -50.89 -10.58 0.44 Allowed Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.5 ' H ' ' C ' ' A' ' 70' ' ' GLY . 70.0 tt0 62.8 57.18 1.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 1.0 110.625 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 48.0 ttm-85 -80.78 -56.81 3.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.526 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 27.9 mt -89.87 164.5 28.35 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.486 178.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -81.11 171.97 13.42 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.763 2.309 . . . . 1.0 112.018 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 51.9 p -90.88 133.42 35.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.658 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.469 ' H ' ' CD ' ' A' ' 67' ' ' GLU . 28.1 mt -109.71 -9.98 14.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.453 -179.239 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.5 tp -42.05 136.5 2.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.572 -177.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.35 -2.68 78.56 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.861 -0.896 . . . . 1.0 110.861 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.3 tp -91.04 127.94 36.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 1.0 110.578 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.0 p -98.95 128.36 45.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.611 178.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 13.8 m-85 -96.65 140.37 22.12 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.539 -179.183 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.37 144.0 22.59 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.795 2.33 . . . . 1.0 112.194 178.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.22 -41.45 75.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.619 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.0 -25.27 7.32 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.026 -0.829 . . . . 1.0 111.026 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -56.81 -30.73 64.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.832 0.349 . . . . 1.0 110.562 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.588 ' O ' ' O ' ' A' ' 88' ' ' PRO . 9.2 mt -120.07 97.2 49.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.465 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.588 ' O ' ' O ' ' A' ' 87' ' ' ILE . 86.6 Cg_exo -43.14 -116.33 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.82 2.346 . . . . 1.0 112.18 -179.348 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -158.1 -41.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.521 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 91' ' ' ALA . 21.3 pt-20 -64.92 -43.43 92.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.568 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.455 ' N ' ' CG ' ' A' ' 90' ' ' GLU . . . -60.4 -32.36 71.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.595 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -69.1 -22.46 63.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.652 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -55.43 -58.12 9.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.514 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.681 ' O ' ' N ' ' A' ' 98' ' ' ALA . 48.5 mt -54.08 -36.98 63.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.505 179.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -68.38 -29.41 68.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.736 178.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.447 ' HE ' ' HA ' ' A' ' 96' ' ' ARG . 0.3 OUTLIER -89.56 -26.17 20.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.613 179.464 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.8 mp -103.1 -41.63 6.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.262 -178.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.681 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -90.87 -24.06 20.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.52 -178.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.48 ' C ' ' O ' ' A' ' 98' ' ' ALA . 94.9 mt-30 34.23 63.48 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.305 179.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.421 ' CG2' ' N ' ' A' ' 101' ' ' ARG . 23.2 m -111.03 -45.46 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.793 177.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.431 ' NH1' ' HA ' ' A' ' 99' ' ' GLN . 6.7 mpt_? 52.94 61.59 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.288 176.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 39.7 t -149.26 127.38 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.613 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.46 ' CD1' ' N ' ' A' ' 103' ' ' ILE . 1.8 mp -106.68 129.55 60.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.752 178.407 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.7 t -84.31 168.93 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.32 -178.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.492 ' C ' ' H ' ' A' ' 107' ' ' GLU . 28.9 t0 -58.39 119.3 6.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.452 -178.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.3 p -51.92 -10.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.567 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.725 ' C ' ' H ' ' A' ' 109' ' ' GLN . 0.8 OUTLIER -93.35 -27.56 16.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.332 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.48 ' O ' ' HB2' ' A' ' 109' ' ' GLN . . . -63.16 23.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.312 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.725 ' H ' ' C ' ' A' ' 107' ' ' GLU . 78.1 mt-30 73.03 49.88 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.7 177.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 11.5 t -86.36 115.99 24.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.439 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 54.3 mtp85 -152.72 106.77 3.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.811 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.142 179.457 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.746 0.308 . . . . 1.0 110.419 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.517 ' CZ ' ' O ' ' A' ' 134' ' ' PRO . 0.0 OUTLIER -120.97 86.56 42.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.589 -179.611 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . 0.517 ' O ' ' CZ ' ' A' ' 133' ' ' ARG . 32.2 Cg_exo -56.43 142.84 88.72 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.763 2.309 . . . . 1.0 111.98 178.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.48 ' CG2' ' CD2' ' A' ' 139' ' ' HIS . 0.0 OUTLIER -125.69 133.54 68.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.506 -179.42 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.465 ' C ' ' H ' ' A' ' 138' ' ' CYS . 33.5 m-20 -45.31 155.16 0.45 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.441 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -48.14 -11.27 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.799 2.333 . . . . 1.0 111.939 178.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . 0.465 ' H ' ' C ' ' A' ' 136' ' ' ASP . 0.0 OUTLIER -59.08 -41.95 89.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.374 178.912 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.48 ' CD2' ' CG2' ' A' ' 135' ' ' VAL . 0.2 OUTLIER -81.58 -28.81 33.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.292 -179.177 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.411 ' N ' ' CD2' ' A' ' 139' ' ' HIS . 22.5 t -48.72 -64.68 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.533 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.578 ' O ' ' N ' ' A' ' 145' ' ' SER . 83.2 t60 -61.18 -40.79 95.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.409 177.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . 0.411 ' CE2' ' CE ' ' A' ' 146' ' ' MET . 7.7 t80 -51.59 -60.89 2.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.405 178.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.9 mp -61.45 -53.65 53.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.369 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 147' ' ' GLY . 2.8 tmtt? -55.87 -40.83 73.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.47 179.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.578 ' N ' ' O ' ' A' ' 141' ' ' HIS . 14.5 t -54.53 -31.92 57.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.473 179.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' MET . . . . . 0.411 ' CE ' ' CE2' ' A' ' 142' ' ' TYR . 6.0 mtt -85.3 -4.63 59.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.443 176.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 144' ' ' LYS . . . 76.59 26.64 62.7 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 16.8 t -108.55 110.82 33.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.797 0.332 . . . . 1.0 110.695 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -72.57 -30.93 64.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.26 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' SER . . . . . 0.503 ' CB ' ' OE1' ' A' ' 172' ' ' GLU . 28.3 m -144.47 121.38 11.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.141 -179.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 13.9 p -115.3 130.67 56.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.976 0.417 . . . . 1.0 111.072 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 29.3 tp -100.26 115.63 30.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.978 -0.555 . . . . 1.0 109.919 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.471 ' CG2' ' N ' ' A' ' 154' ' ' VAL . 2.5 p -106.27 157.29 6.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.055 0.455 . . . . 1.0 111.265 -179.187 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.471 ' N ' ' CG2' ' A' ' 153' ' ' VAL . 93.7 t -153.64 126.58 4.1 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 115.762 -0.654 . . . . 1.0 109.986 -178.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -89.36 151.19 5.45 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.931 2.421 . . . . 1.0 112.649 -174.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 24.3 mt -117.15 96.52 5.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.248 176.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.432 ' O ' ' OG ' ' A' ' 192' ' ' SER . 49.8 mtp -105.57 127.41 53.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.776 -176.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . 0.586 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 16.6 t-80 -120.75 121.92 39.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.361 175.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.491 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 59.3 t60 78.26 -119.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.4 -176.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -121.1 3.56 10.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.402 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -119.33 167.68 11.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.565 -178.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 14.1 tp -101.96 121.52 42.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.492 178.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' TRP . . . . . 0.511 ' CD1' ' N ' ' A' ' 163' ' ' TRP . 19.5 m95 -103.04 -42.78 5.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.826 -177.256 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -140.45 176.13 21.59 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.226 -0.75 . . . . 1.0 111.226 -178.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 3.6 tp -147.91 127.75 13.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 1.0 110.469 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 154' ' ' VAL . 60.5 tp -98.87 140.1 33.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.557 178.176 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 5.4 t -143.93 144.25 23.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.688 -176.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 4.3 m -126.67 144.2 50.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.41 177.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -126.78 130.28 49.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.403 . . . . 1.0 110.71 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . 0.411 ' O ' ' O ' ' A' ' 150' ' ' SER . 1.5 p-80 -171.73 166.04 6.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.555 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -62.55 -155.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.602 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . 0.503 ' OE1' ' CB ' ' A' ' 150' ' ' SER . 24.1 tp10 -124.46 78.49 62.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.585 179.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -84.67 -52.09 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.833 2.355 . . . . 1.0 112.063 179.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -147.69 151.26 38.68 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.514 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.31 177.42 3.21 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.764 2.309 . . . . 1.0 112.048 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -109.2 115.63 30.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.596 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 46.4 m -69.32 144.37 53.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.572 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -66.23 -39.72 89.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.535 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -64.43 -54.47 32.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.502 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -65.26 -33.08 75.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.427 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 25.3 tp -57.52 -42.45 82.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.446 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -60.34 -48.54 81.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.344 -179.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 54.0 t -42.64 -49.76 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.103 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 91.1 t -72.92 -38.15 55.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.217 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -46.88 -33.97 5.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.095 178.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 10.7 mp -74.09 -41.23 61.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.092 178.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 93.5 mt -53.87 -30.83 47.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.066 178.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -74.24 -38.91 63.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.061 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -59.15 -40.14 84.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.171 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -52.54 -54.33 34.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.113 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 81.9 t -54.89 -41.01 55.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.155 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 192' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 157' ' ' MET . 3.9 t -48.85 -36.0 15.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.16 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.16 -32.77 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.969 -0.559 . . . . 1.0 110.074 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -70.5 -47.66 59.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.282 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 17.7 tt -64.23 -35.17 73.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.181 179.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . 0.586 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -76.32 -55.72 5.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.346 178.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -56.11 -25.11 44.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.399 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -75.37 -35.43 61.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.463 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -52.5 -39.42 61.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.444 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . 0.419 ' C ' ' CD2' ' A' ' 200' ' ' LEU . 2.8 tt -54.31 -64.65 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.474 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 87.3 p -63.23 -47.44 82.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.466 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 11.6 tp . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.01 -0.995 . . . . 1.0 110.599 179.779 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 64.3 tp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.841 0.353 . . . . 1.0 110.556 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -55.27 -34.53 64.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.568 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -74.15 -49.4 23.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.54 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.536 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.4 mp -60.44 -31.39 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.577 -178.277 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 92.7 mt -74.75 -25.88 59.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.598 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.414 ' O ' HG13 ' A' ' 39' ' ' VAL . 86.3 mtt180 -66.4 -35.73 81.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.621 178.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.22 -26.37 39.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.657 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.3 p -76.84 -46.12 25.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.586 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 36' ' ' ARG . 3.8 p -54.53 -36.5 35.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.65 -178.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.414 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 22.2 pt-20 -78.39 -32.17 48.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.575 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -63.7 -52.18 61.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.465 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.2 p -61.63 -44.75 99.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.567 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.549 ' HE ' ' C ' ' A' ' 43' ' ' ARG . 1.6 tmm_? -47.91 -45.95 31.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.513 179.031 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.442 ' N ' ' HE ' ' A' ' 43' ' ' ARG . . . -58.97 -35.29 72.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.59 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -76.25 -51.91 11.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.5 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.517 ' CD1' ' N ' ' A' ' 46' ' ' LEU . 8.9 mp -79.97 -1.85 41.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.561 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 42.62 22.2 0.13 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 177.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.53 ' CG2' ' H ' ' A' ' 50' ' ' ARG . 1.2 m -75.71 137.07 40.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.845 0.355 . . . . 1.0 110.5 179.146 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.562 ' OD1' ' N ' ' A' ' 50' ' ' ARG . 30.8 p-10 -68.03 -20.24 64.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.603 -176.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.562 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 24.9 ttm180 -147.99 118.1 7.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.99 0.424 . . . . 1.0 111.011 -178.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.5 p -147.14 135.2 15.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.851 -0.613 . . . . 1.0 109.883 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.9 pttt -145.86 156.3 43.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.99 0.424 . . . . 1.0 111.256 -177.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.9 p -95.87 138.5 21.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.691 -0.686 . . . . 1.0 109.839 177.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.425 ' CZ ' ' HA3' ' A' ' 62' ' ' GLY . 68.1 t80 -123.21 119.18 29.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.887 0.375 . . . . 1.0 111.236 -177.005 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -94.94 162.67 13.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.96 -0.564 . . . . 1.0 109.92 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -129.83 144.78 51.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.912 0.387 . . . . 1.0 110.897 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 61' ' ' HIS . 21.3 t70 -115.04 133.82 22.61 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.301 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -44.33 -29.53 3.11 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.638 2.226 . . . . 1.0 112.051 179.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -73.02 -8.72 57.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.436 -178.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.68 20.11 25.32 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.788 -0.925 . . . . 1.0 110.788 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.505 ' O ' ' N ' ' A' ' 57' ' ' ASP . 79.7 m80 -119.54 143.82 47.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 1.0 110.706 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.435 ' O ' ' OG1' ' A' ' 81' ' ' THR . . . -139.08 161.21 25.94 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.665 -0.974 . . . . 1.0 110.665 178.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 76.9 p -140.28 160.57 39.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.827 0.346 . . . . 1.0 110.763 -177.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.9 t -100.2 115.16 40.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.165 176.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.8 m -105.93 2.04 10.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.88 -176.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -159.31 148.12 18.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.879 0.371 . . . . 1.0 110.869 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -166.11 125.33 1.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.191 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -127.59 152.81 47.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.871 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.526 ' C ' HH11 ' A' ' 43' ' ' ARG . 35.2 ptt-85 -139.84 145.12 37.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.476 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.69 13.68 66.07 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.914 -0.875 . . . . 1.0 110.914 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -173.02 -120.3 0.56 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.789 -0.924 . . . . 1.0 110.789 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -175.66 50.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.768 0.318 . . . . 1.0 110.561 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 52.2 ttm-85 -79.96 -57.77 3.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.518 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.404 ' CB ' ' NH2' ' A' ' 50' ' ' ARG . 12.3 mt -97.05 166.68 13.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.515 178.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . 0.518 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 2.9 Cg_exo -77.49 174.84 12.07 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.703 2.268 . . . . 1.0 112.064 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.9 m -95.53 140.33 30.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.722 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 43.4 mt -110.86 -12.79 14.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.438 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.9 tp -43.38 137.97 2.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.553 -178.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.02 0.11 68.66 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.857 -0.897 . . . . 1.0 110.857 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.436 HD23 ' N ' ' A' ' 81' ' ' THR . 2.7 tt -99.79 130.01 45.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 1.0 110.576 -179.548 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.436 ' N ' HD23 ' A' ' 80' ' ' LEU . 12.9 t -96.98 132.54 42.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.641 178.48 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 23.2 m-85 -106.76 149.22 38.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.555 -179.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -80.42 147.63 18.06 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.868 2.379 . . . . 1.0 112.121 177.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.22 -32.34 72.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.702 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -51.47 -24.91 12.15 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -60.28 -29.3 68.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 1.0 110.602 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.62 ' O ' ' O ' ' A' ' 88' ' ' PRO . 86.9 mt -114.52 93.06 30.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.553 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.62 ' O ' ' O ' ' A' ' 87' ' ' ILE . 83.6 Cg_exo -43.81 -120.69 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.827 2.352 . . . . 1.0 112.198 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -154.66 -60.78 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.612 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.4 ' CG ' ' N ' ' A' ' 91' ' ' ALA . 11.2 pt-20 -45.85 -40.6 10.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.56 -178.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.4 ' N ' ' CG ' ' A' ' 90' ' ' GLU . . . -66.5 -44.91 81.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.571 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.574 HH21 ' CG2' ' A' ' 87' ' ' ILE . 39.1 ttm180 -60.16 -24.76 65.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.536 -178.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 96' ' ' ARG . 97.2 mtt180 -60.52 -51.85 67.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.475 -178.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.608 ' O ' ' N ' ' A' ' 98' ' ' ALA . 28.4 mt -47.29 -43.97 22.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.465 -179.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 32.6 m-85 -67.06 -25.01 66.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.756 179.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 93' ' ' ARG . 50.1 mtp180 -88.58 -25.61 22.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.7 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.3 mp -104.99 -46.42 4.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.193 -178.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.608 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -93.62 -18.28 22.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.43 -177.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.488 ' C ' ' O ' ' A' ' 98' ' ' ALA . 86.9 mt-30 34.4 63.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.266 178.149 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.416 ' CG2' ' N ' ' A' ' 101' ' ' ARG . 25.3 m -103.23 -45.13 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.856 176.134 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.416 ' N ' ' CG2' ' A' ' 100' ' ' VAL . 0.6 OUTLIER 58.95 56.75 3.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.273 173.352 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 15.4 m -154.21 129.1 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.609 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.447 ' CD1' ' N ' ' A' ' 103' ' ' ILE . 1.7 mp -108.36 137.74 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.712 177.451 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.487 ' CG2' ' N ' ' A' ' 105' ' ' ASP . 11.2 p -79.54 168.63 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.298 -177.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.487 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 28.1 m-20 -48.75 123.74 7.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.461 -178.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.65 -12.68 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.507 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.439 ' C ' ' H ' ' A' ' 109' ' ' GLN . 8.0 pt-20 -77.06 -32.57 56.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.302 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.39 -8.47 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.292 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.439 ' H ' ' C ' ' A' ' 107' ' ' GLU . 93.0 mt-30 45.95 61.36 2.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.704 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 135' ' ' VAL . 17.9 p -86.28 140.11 30.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.386 175.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -122.81 131.65 53.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.841 -177.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.507 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 10.8 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.187 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.744 0.307 . . . . 1.0 110.464 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -116.86 108.91 43.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.733 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -79.85 140.69 14.67 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.709 2.273 . . . . 1.0 111.926 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.6 ' CG2' ' ND1' ' A' ' 139' ' ' HIS . 35.8 m -124.55 133.24 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.536 -177.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' A' ' 136' ' ' ASP . 0.1 OUTLIER -43.29 159.85 0.22 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.452 179.195 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -55.07 -48.72 19.51 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.857 2.371 . . . . 1.0 111.929 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -46.83 -26.14 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.415 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.6 ' ND1' ' CG2' ' A' ' 135' ' ' VAL . 35.9 t-80 -87.48 -40.52 14.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.282 177.145 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 66.8 t -48.38 -47.21 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.531 178.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.518 ' CD2' ' OG ' ' A' ' 145' ' ' SER . 84.1 t60 -65.77 -39.35 90.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.347 178.438 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -46.9 -55.61 7.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.436 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 94.0 mt -66.39 -50.38 63.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.415 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -56.87 -40.56 76.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.494 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.518 ' OG ' ' CD2' ' A' ' 141' ' ' HIS . 45.6 m -54.1 -27.35 32.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.495 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 47.5 mtt -89.68 2.75 54.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.395 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 66.53 22.41 71.44 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 179.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.413 ' CG1' ' N ' ' A' ' 170' ' ' HIS . 3.2 t -107.51 119.23 56.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.678 0.275 . . . . 1.0 110.718 178.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -78.89 -34.64 44.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.274 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 96.0 p -107.57 150.7 26.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.105 -177.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.4 t -146.94 104.21 3.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.928 0.394 . . . . 1.0 111.092 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 55.6 tp -97.28 132.43 43.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.993 -0.549 . . . . 1.0 109.985 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.477 HG22 ' N ' ' A' ' 154' ' ' VAL . 8.5 p -128.44 151.4 35.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.035 0.445 . . . . 1.0 111.227 -179.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.477 ' N ' HG22 ' A' ' 153' ' ' VAL . 48.1 t -152.9 74.63 6.97 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.756 -0.657 . . . . 1.0 109.933 -178.032 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -48.7 157.67 1.43 Allowed 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.915 2.41 . . . . 1.0 112.703 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 25.8 mt -117.19 101.05 8.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.199 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 35.3 mtp -106.31 125.35 50.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.776 -178.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . 0.404 ' CE1' ' CB ' ' A' ' 196' ' ' ALA . 12.0 t60 -106.78 122.53 46.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.386 177.186 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.442 ' CG ' ' N ' ' A' ' 160' ' ' GLN . 84.1 t60 59.69 -104.44 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.376 -178.426 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . 0.442 ' N ' ' CG ' ' A' ' 159' ' ' HIS . 1.4 tt0 -121.48 1.85 10.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.451 -179.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 162' ' ' LEU . 32.5 tp10 -117.51 158.51 24.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.602 -176.182 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . 0.44 ' N ' ' HG3' ' A' ' 161' ' ' GLU . 6.1 tt -103.44 122.5 45.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.472 177.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -106.31 -40.9 5.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.888 -176.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -136.82 173.3 22.19 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.177 -0.769 . . . . 1.0 111.177 -177.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 11.1 tp -145.41 118.56 8.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 1.0 110.386 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.405 ' HB3' ' O ' ' A' ' 154' ' ' VAL . 29.5 tp -96.58 140.19 31.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.516 178.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 7.3 p -146.21 141.21 21.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.672 -177.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.47 143.95 51.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.431 178.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' HIS . . . . . 0.629 ' ND1' ' N ' ' A' ' 169' ' ' HIS . 0.0 OUTLIER -146.82 140.47 25.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.76 -179.462 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . 0.743 ' CD2' ' H ' ' A' ' 171' ' ' ALA . 11.0 t-80 -172.03 164.35 6.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.467 -179.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.743 ' H ' ' CD2' ' A' ' 170' ' ' HIS . . . -47.9 171.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.619 177.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -59.96 107.52 1.05 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.594 -178.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 171' ' ' ALA . 75.4 Cg_endo -93.13 -97.98 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.871 2.381 . . . . 1.0 112.045 178.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.543 ' NE ' ' O ' ' A' ' 175' ' ' PRO . 0.0 OUTLIER -154.84 157.53 32.02 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.517 179.365 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . 0.543 ' O ' ' NE ' ' A' ' 174' ' ' ARG . 54.5 Cg_exo -49.98 165.54 0.32 Allowed 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.839 2.359 . . . . 1.0 111.99 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -109.99 130.42 55.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.596 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 56.2 p -95.94 149.47 21.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.548 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -65.15 -36.34 83.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.55 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -64.37 -56.13 16.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.504 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.42 -32.41 74.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.47 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 26.2 tp -57.62 -40.39 79.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.341 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -63.58 -48.63 76.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.384 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 47.9 t -42.77 -53.5 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.146 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 4.8 p -74.36 -35.42 39.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.154 -178.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -48.04 -40.01 21.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.061 178.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 19.9 tp -73.34 -34.61 65.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.038 178.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 14.6 tp -56.03 -32.38 63.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.08 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -74.18 -39.44 63.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.113 178.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -56.19 -38.9 71.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.217 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -54.48 -54.43 41.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.188 178.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 86.5 t -55.99 -43.06 73.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.141 178.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 192' ' ' SER . . . . . 0.446 ' H ' ' HG ' ' A' ' 192' ' ' SER . 3.8 m -49.44 -33.74 14.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.179 179.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 71.7 mt -80.93 -32.65 12.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.118 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -70.69 -46.43 63.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.255 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 8.5 tp -65.03 -35.06 74.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.173 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . 0.404 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.55 -56.64 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.365 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -58.04 -25.57 61.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.378 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -74.82 -36.76 62.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.382 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -52.78 -38.41 61.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.396 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 47.3 tp -58.29 -60.2 4.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.441 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 89.4 p -64.75 -48.39 74.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.496 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 8.9 tp . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.027 -0.987 . . . . 1.0 110.563 179.744 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.409 ' N ' ' CD1' ' A' ' 31' ' ' LEU . 7.6 mp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.801 0.334 . . . . 1.0 110.547 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -55.3 -32.98 62.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.579 -179.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -77.64 -54.39 6.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.49 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.478 ' O ' ' CD1' ' A' ' 34' ' ' ILE . 0.3 OUTLIER -59.94 -30.18 44.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.563 -177.892 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.56 ' O ' ' OG1' ' A' ' 38' ' ' THR . 83.2 mt -73.85 -33.35 64.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.646 -178.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -55.42 -36.91 66.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.546 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.86 -25.73 53.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.585 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.56 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 68.9 p -73.69 -43.87 58.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.616 178.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.2 t -59.83 -40.9 83.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.676 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -71.29 -38.0 71.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.589 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -64.0 -44.18 93.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.514 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.7 t -65.31 -48.06 84.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.486 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.673 HH11 ' N ' ' A' ' 69' ' ' ARG . 43.7 ttp180 -47.32 -43.5 22.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.54 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.47 -36.27 77.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.537 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -76.76 -50.34 13.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.503 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.546 ' O ' ' N ' ' A' ' 48' ' ' THR . 32.0 mt -80.57 -2.78 47.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.624 179.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.57 22.29 0.05 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.929 -0.868 . . . . 1.0 110.929 177.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.546 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.2 m -73.54 138.23 44.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.814 0.34 . . . . 1.0 110.6 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.484 ' CG ' ' ND1' ' A' ' 170' ' ' HIS . 89.4 m-20 -52.72 -39.41 62.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.616 -177.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.534 ' NH1' ' OE2' ' A' ' 67' ' ' GLU . 51.8 ttm-85 -146.53 128.13 15.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.003 -177.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.0 p -145.52 140.76 22.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.906 -0.588 . . . . 1.0 109.849 177.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.531 ' HZ1' ' HE2' ' A' ' 169' ' ' HIS . 20.6 pttm -146.28 164.66 31.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.001 0.429 . . . . 1.0 111.245 -177.019 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.5 p -105.99 137.42 36.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.687 -0.688 . . . . 1.0 109.88 178.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -120.51 121.0 37.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.903 0.382 . . . . 1.0 111.236 -177.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.494 ' HG3' ' H ' ' A' ' 56' ' ' PHE . 4.8 tpt180 -95.32 163.53 13.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.002 -0.545 . . . . 1.0 109.865 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . 0.494 ' H ' ' HG3' ' A' ' 55' ' ' ARG . 86.3 t80 -129.95 146.5 51.65 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.731 -0.388 . . . . 1.0 110.936 -178.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 9.2 t70 -117.14 133.11 23.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.29 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -43.47 -30.47 2.54 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.781 2.321 . . . . 1.0 112.071 178.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -72.48 -11.35 60.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.436 -178.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 100.43 16.21 27.71 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.753 -0.939 . . . . 1.0 110.753 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.478 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 80.0 m-70 -112.93 138.6 49.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.839 0.352 . . . . 1.0 110.721 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -132.57 154.15 20.95 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.656 -0.978 . . . . 1.0 110.656 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 82.8 p -138.91 159.14 42.84 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.947 -0.301 . . . . 1.0 110.783 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.492 HG22 ' H ' ' A' ' 79' ' ' GLY . 0.2 OUTLIER -100.73 110.93 28.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.17 175.789 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 23.9 m -95.18 3.28 9.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.798 -176.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -163.81 153.17 14.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.878 0.37 . . . . 1.0 110.952 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.534 ' OE2' ' NH1' ' A' ' 50' ' ' ARG . 58.9 tt0 -164.49 123.09 1.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.306 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -122.07 141.73 51.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.813 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.673 ' N ' HH11 ' A' ' 43' ' ' ARG . 0.0 OUTLIER -133.3 143.17 48.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.064 -0.517 . . . . 1.0 110.459 179.281 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -95.06 -81.45 1.55 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.884 -0.886 . . . . 1.0 110.884 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.23 0.1 81.1 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.802 -0.919 . . . . 1.0 110.802 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 55.86 56.7 5.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.8 0.333 . . . . 1.0 110.537 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.477 ' NH2' ' C ' ' A' ' 170' ' ' HIS . 18.0 ttp180 -79.25 -57.23 3.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.559 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.406 ' HB2' ' HE ' ' A' ' 50' ' ' ARG . 12.0 mt -90.78 167.19 16.85 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.497 178.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -79.0 171.28 16.66 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.761 2.307 . . . . 1.0 112.132 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.5 p -88.81 132.15 34.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.731 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.9 mt -108.15 -10.86 15.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.481 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.8 tp -41.94 136.7 2.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.534 -177.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.492 ' H ' HG22 ' A' ' 64' ' ' VAL . . . 92.03 -0.73 72.98 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 179.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.412 ' O ' HG23 ' A' ' 64' ' ' VAL . 4.5 tt -95.89 130.11 42.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 1.0 110.563 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.0 t -95.96 124.8 40.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.588 178.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.472 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 16.4 m-85 -98.83 141.82 23.55 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.544 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.13 139.38 18.96 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.812 2.341 . . . . 1.0 112.222 177.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.05 -32.94 64.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.672 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.94 -23.22 3.47 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -56.08 -32.7 64.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.806 0.336 . . . . 1.0 110.541 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 7.9 mt -133.39 97.75 15.87 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.474 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_exo -39.74 -92.44 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.776 2.317 . . . . 1.0 112.169 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -174.61 -28.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.541 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 93' ' ' ARG . 16.2 pt-20 -64.08 -38.47 91.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.544 -178.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.7 -33.51 76.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.568 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.445 HH21 HH22 ' A' ' 93' ' ' ARG . 61.5 ttp180 -69.87 -23.63 63.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.531 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.445 HH22 HH21 ' A' ' 92' ' ' ARG . 13.8 mmp_? -57.78 -56.83 16.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.454 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.645 ' O ' ' N ' ' A' ' 98' ' ' ALA . 9.4 mt -50.53 -41.27 53.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.503 179.195 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -63.07 -25.26 68.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.764 178.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -90.24 -28.94 18.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.593 -178.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.0 mp -106.76 -44.77 4.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.231 -177.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.645 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -87.43 -27.37 22.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.466 -176.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.467 ' C ' ' O ' ' A' ' 98' ' ' ALA . 89.2 mt-30 35.25 61.23 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.362 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.541 ' C ' ' HE ' ' A' ' 101' ' ' ARG . 8.7 p -115.42 -49.05 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.837 177.128 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.541 ' HE ' ' C ' ' A' ' 100' ' ' VAL . 0.1 OUTLIER 56.95 66.37 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.307 173.744 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 67.2 t -144.51 124.39 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.575 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . 0.512 ' CD1' ' N ' ' A' ' 103' ' ' ILE . 2.5 mp -109.52 131.73 59.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.727 178.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -84.72 172.5 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.257 -177.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 105' ' ' ASP . 0.5 OUTLIER -51.82 120.36 5.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.466 -178.329 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.8 m -58.05 -8.2 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.558 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.425 ' H ' ' C ' ' A' ' 105' ' ' ASP . 14.6 pt-20 -81.27 -31.74 33.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.335 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.22 -13.11 4.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.381 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 49.88 57.67 6.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.719 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.6 t -94.12 138.8 31.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.38 175.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -122.41 135.97 54.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.869 -176.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.417 ' O ' ' CG ' ' A' ' 136' ' ' ASP . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.207 177.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.701 0.286 . . . . 1.0 110.521 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -130.36 84.58 59.18 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.633 -178.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -50.02 146.39 17.2 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.76 2.307 . . . . 1.0 111.937 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.442 ' HB ' ' CD2' ' A' ' 139' ' ' HIS . 16.7 t -128.62 135.59 62.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.515 179.226 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.422 ' C ' ' H ' ' A' ' 138' ' ' CYS . 21.2 m-20 -44.13 155.86 0.33 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.405 -179.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -51.48 -11.21 0.63 Allowed 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.828 2.352 . . . . 1.0 111.915 178.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' CYS . . . . . 0.422 ' H ' ' C ' ' A' ' 136' ' ' ASP . 0.0 OUTLIER -56.27 -44.65 79.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.419 179.517 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' HIS . . . . . 0.546 ' CD2' ' N ' ' A' ' 140' ' ' VAL . 0.1 OUTLIER -83.51 -23.6 32.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.296 -177.741 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.546 ' N ' ' CD2' ' A' ' 139' ' ' HIS . 4.8 t -50.18 -64.36 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.496 -179.425 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' HIS . . . . . 0.459 ' O ' ' N ' ' A' ' 145' ' ' SER . 38.9 m-70 -63.76 -42.66 97.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.454 178.445 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -49.95 -55.32 14.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.452 178.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 8.9 mp -64.88 -53.55 44.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.395 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -55.15 -41.33 71.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.465 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 141' ' ' HIS . 46.8 t -54.02 -26.25 25.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.516 178.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 34.9 mtt -92.22 -1.88 56.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.442 177.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 69.7 24.34 76.33 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.871 -0.892 . . . . 1.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.524 ' O ' ' CG2' ' A' ' 148' ' ' VAL . 2.9 m -112.22 120.18 61.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 1.0 110.62 179.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -91.45 -12.58 34.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.272 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 39.1 t -113.17 144.81 42.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.105 -179.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.17 97.22 2.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 1.0 111.076 178.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 56.7 tp -98.96 134.25 42.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.034 -0.53 . . . . 1.0 109.99 178.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . 0.433 HG21 ' O ' ' A' ' 166' ' ' LEU . 1.3 p -128.71 151.41 35.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.092 0.473 . . . . 1.0 111.211 -177.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' VAL . . . . . 0.412 ' CG2' ' C ' ' A' ' 153' ' ' VAL . 1.5 t -150.74 100.04 3.11 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.688 -0.687 . . . . 1.0 109.999 -179.241 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.23 151.08 33.77 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.966 2.444 . . . . 1.0 112.675 -173.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 34.1 mt -118.28 95.36 4.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.181 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' MET . . . . . 0.437 ' O ' ' OG ' ' A' ' 192' ' ' SER . 21.5 ptm -111.81 135.31 52.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.723 -177.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' HIS . . . . . 0.468 ' O ' ' CB ' ' A' ' 159' ' ' HIS . 38.9 t60 -116.13 121.5 42.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.419 177.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' HIS . . . . . 0.66 ' CE1' HE21 ' A' ' 160' ' ' GLN . 15.4 t-80 77.2 -113.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.406 -177.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . 0.66 HE21 ' CE1' ' A' ' 159' ' ' HIS . 1.5 mp0 -121.58 6.63 10.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.396 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.509 ' N ' ' OE1' ' A' ' 161' ' ' GLU . 37.7 mp0 -117.77 161.55 19.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.526 -176.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 6.4 mp -106.58 126.01 51.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.442 177.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -104.0 -40.13 6.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.919 -176.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -141.77 175.61 22.44 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.279 -0.728 . . . . 1.0 111.279 -177.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 5.2 tp -148.96 141.19 24.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.787 0.327 . . . . 1.0 110.381 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' LEU . . . . . 0.433 ' O ' HG21 ' A' ' 153' ' ' VAL . 8.2 tp -112.44 147.59 36.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.652 178.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 69.2 t -151.89 136.6 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.722 -179.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.4 143.27 49.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.377 179.353 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' HIS . . . . . 0.531 ' HE2' ' HZ1' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -130.14 137.4 50.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.748 -179.59 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' HIS . . . . . 0.742 ' CD2' ' N ' ' A' ' 171' ' ' ALA . 49.1 t60 -169.91 172.41 6.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.475 -178.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.742 ' N ' ' CD2' ' A' ' 170' ' ' HIS . . . -50.19 -157.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.544 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -44.94 144.71 1.84 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.644 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -84.79 -179.05 3.51 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.84 2.36 . . . . 1.0 112.047 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 71.5 mtt85 -150.55 148.69 24.37 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.44 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.27 139.15 76.03 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.739 2.293 . . . . 1.0 112.047 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -105.48 123.15 47.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.646 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 50.5 m -65.18 146.15 55.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.533 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -63.36 -34.95 78.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.457 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -68.01 -41.87 81.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.516 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -78.78 -28.46 44.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.437 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 21.5 tp -60.28 -50.18 74.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.36 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 182' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 183' ' ' VAL . 13.5 pt20 -60.92 -44.96 96.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.435 -179.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 183' ' ' VAL . . . . . 0.411 ' N ' ' HG3' ' A' ' 182' ' ' GLN . 53.4 t -44.44 -55.25 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.173 -179.284 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 23.7 m -74.49 -34.91 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.199 -178.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -47.23 -40.13 15.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.025 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 79.5 mt -73.68 -34.08 64.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.047 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 6.6 tt -56.62 -33.97 66.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.033 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -73.79 -37.83 64.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.138 178.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -59.91 -38.38 82.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.184 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -55.19 -55.06 35.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.199 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 38.9 t -55.15 -44.88 76.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.136 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 192' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' A' ' 157' ' ' MET . 8.4 t -49.63 -34.1 17.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.076 179.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 70.4 mt -81.71 -31.76 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.126 178.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -68.53 -45.83 71.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.221 -179.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 2.3 pp -68.42 -27.39 36.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.196 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 196' ' ' ALA . . . . . 0.434 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -76.19 -57.59 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.357 178.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -57.49 -24.88 58.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.4 179.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -75.11 -35.57 61.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.445 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -54.84 -39.33 68.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.467 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 46.5 tp -59.76 -61.31 2.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.498 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 83.6 p -60.33 -45.69 92.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.503 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 12.8 tp . . . . . 0 C--O 1.221 -0.411 0 CA-C-O 117.946 -1.026 . . . . 1.0 110.496 179.935 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 tt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.838 0.352 . . . . 1.0 110.533 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 33' ' ' GLN . 33.1 p-10 -57.48 -38.75 75.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.525 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.486 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 96.2 mt-30 -70.47 -53.18 17.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.494 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.484 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.7 mp -50.62 -49.2 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.629 -178.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.482 ' O ' ' OG1' ' A' ' 38' ' ' THR . 89.7 mt -58.19 -31.27 67.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.597 -177.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.451 ' O ' HG12 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -51.75 -39.05 57.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.6 179.516 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.29 -24.21 37.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.619 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 42.2 p -72.86 -46.26 53.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.618 178.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 51' ' ' VAL . 3.8 p -52.62 -40.41 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.706 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.48 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 10.6 pt-20 -79.32 -34.19 42.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.622 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -62.51 -53.67 51.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.541 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.7 t -61.02 -44.51 98.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.488 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.5 ttm180 -46.76 -41.75 15.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.474 179.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.23 -40.62 94.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.531 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -72.94 -52.45 14.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.546 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.583 ' O ' ' N ' ' A' ' 48' ' ' THR . 20.3 mt -78.75 -0.65 31.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.505 179.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.4 20.62 0.03 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.929 -0.869 . . . . 1.0 110.929 178.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.583 ' N ' ' O ' ' A' ' 46' ' ' LEU . 2.6 m -73.93 138.43 44.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.361 . . . . 1.0 110.57 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.575 ' O ' ' N ' ' A' ' 70' ' ' GLY . 2.7 p-10 -64.34 -32.24 73.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.6 -176.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.633 HH12 ' HZ3' ' A' ' 52' ' ' LYS . 66.2 ttp85 -138.53 123.7 19.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.967 0.413 . . . . 1.0 111.013 -176.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.491 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 3.1 t -143.91 133.71 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.876 -0.602 . . . . 1.0 109.855 176.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.633 ' HZ3' HH12 ' A' ' 50' ' ' ARG . 23.8 pttm -141.55 155.12 45.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.975 0.417 . . . . 1.0 111.261 -178.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 79.4 t -103.8 139.06 25.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.75 -0.659 . . . . 1.0 109.891 178.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.502 ' HB2' HBB3 ' A' ' 301' ' ' CYC . 20.4 t80 -122.75 118.89 29.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.934 0.397 . . . . 1.0 111.172 -178.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -95.42 163.29 13.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.971 -0.559 . . . . 1.0 109.959 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.526 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 89.6 t80 -129.56 147.25 51.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.978 0.418 . . . . 1.0 110.842 -177.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.536 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -117.61 148.85 43.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.355 179.522 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.73 -27.52 85.13 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.744 2.296 . . . . 1.0 112.051 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -74.57 -8.38 56.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.43 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.08 21.94 21.55 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.79 -0.924 . . . . 1.0 110.79 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 75.5 m80 -116.26 138.88 50.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.877 0.37 . . . . 1.0 110.736 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -129.39 149.85 18.75 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.629 -0.989 . . . . 1.0 110.629 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.4 p -132.91 153.9 50.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 1.0 110.738 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.8 t -95.95 113.97 31.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.167 176.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.2 m -100.95 2.79 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.849 -177.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -163.16 150.38 12.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.908 0.385 . . . . 1.0 110.911 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 87.9 tt0 -168.18 128.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.269 -179.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.48 ' O ' ' HA ' ' A' ' 50' ' ' ARG . . . -119.62 152.3 37.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.841 177.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 75.3 mtm180 -133.85 141.59 47.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.467 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -92.9 -103.23 1.56 Allowed Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.801 -0.92 . . . . 1.0 110.801 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.93 16.36 1.54 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.79 -0.924 . . . . 1.0 110.79 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.536 ' H ' ' C ' ' A' ' 70' ' ' GLY . 47.3 mp0 50.88 53.93 12.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.782 0.325 . . . . 1.0 110.562 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.643 ' NH1' ' N ' ' A' ' 171' ' ' ALA . 8.3 ptm180 -85.75 -15.27 42.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.532 177.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.3 mt -132.33 152.79 80.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.484 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -72.5 169.15 22.47 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.807 2.338 . . . . 1.0 112.114 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.3 p -84.35 117.52 23.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.648 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.442 ' H ' ' CD ' ' A' ' 67' ' ' GLU . 54.0 mt -92.33 -12.98 30.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.434 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.53 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 12.9 tp -47.45 138.14 7.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.513 -178.145 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.98 -0.64 73.04 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 87.6 mt -98.29 132.37 43.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.768 0.318 . . . . 1.0 110.54 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.3 m -94.71 123.26 38.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.571 177.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -92.98 138.03 23.51 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.55 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.405 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 73.5 Cg_endo -76.75 140.64 21.02 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.873 2.382 . . . . 1.0 112.144 179.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.29 -34.62 72.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.68 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.33 -24.81 3.88 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' A' ' 87' ' ' ILE . 54.3 p30 -53.9 -24.0 14.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 1.0 110.613 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.546 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 27.6 mt -141.99 131.75 12.49 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.552 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.07 -93.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.836 2.357 . . . . 1.0 112.173 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 19.7 pt-20 -166.69 -48.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.552 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.432 ' N ' ' CG ' ' A' ' 89' ' ' GLU . 18.8 pt-20 -47.35 -39.28 14.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.578 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.23 -43.34 78.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.599 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.441 ' O ' ' HB2' ' A' ' 95' ' ' PHE . 75.7 ttt-85 -63.08 -27.25 69.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.608 -178.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -55.09 -47.45 74.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.511 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.622 ' O ' ' N ' ' A' ' 98' ' ' ALA . 7.0 mp -53.87 -37.02 63.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.523 179.258 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.642 ' HD1' ' H ' ' A' ' 95' ' ' PHE . 2.2 m-85 -61.06 -19.73 61.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.74 178.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 46.9 mtp85 -94.57 -33.26 13.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.739 -178.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.455 ' CD1' ' N ' ' A' ' 97' ' ' LEU . 10.3 mp -106.4 -39.83 5.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.258 -177.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.622 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -81.29 -33.01 32.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.417 -176.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.595 ' NE2' ' SD ' ' A' ' 157' ' ' MET . 33.0 mm-40 31.73 57.27 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.31 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.506 ' O ' ' O ' ' A' ' 101' ' ' ARG . 8.6 p -146.24 -49.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.807 177.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.641 ' NE ' ' CZ ' ' A' ' 95' ' ' PHE . 16.7 mmm180 45.82 98.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.275 174.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 10.5 p -142.32 129.41 19.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.596 177.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 12.4 mt -110.57 130.92 63.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.714 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.514 ' CG1' ' H ' ' A' ' 105' ' ' ASP . 47.5 t -85.33 171.53 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.344 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.514 ' H ' ' CG1' ' A' ' 104' ' ' VAL . 30.6 t0 -49.02 118.92 2.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.49 -178.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.8 m -56.5 -8.83 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.604 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.438 ' H ' ' C ' ' A' ' 105' ' ' ASP . 13.8 pt-20 -76.52 -33.25 58.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.57 -13.78 10.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.311 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 49.48 62.93 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.719 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.7 p -85.66 139.47 31.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.325 175.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 76.4 mtp85 -122.53 129.68 52.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.85 -177.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.54 116.58 9.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.25 178.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.5 ' N ' ' CD1' ' A' ' 113' ' ' ILE . 0.0 OUTLIER -117.83 -167.53 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.743 -179.718 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 70.8 m -76.49 173.63 11.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.699 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -132.89 149.95 74.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.469 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 117' ' ' GLU . 63.2 Cg_endo -73.71 119.94 6.17 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.838 2.359 . . . . 1.0 112.179 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 116' ' ' PRO . 47.1 mp0 39.0 81.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.614 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 35.8 m -143.95 53.9 1.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.628 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -57.29 -33.91 68.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.581 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 63.55 100.8 0.01 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 17.5 tp -94.59 128.38 41.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.794 0.331 . . . . 1.0 110.541 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 82.4 p -153.21 153.95 33.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.617 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -76.43 -58.79 3.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.515 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 179.95 85.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.556 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 43.9 t -121.21 93.26 48.81 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.52 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -51.24 141.45 39.4 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.769 2.313 . . . . 1.0 112.096 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.52 ' CD1' ' N ' ' A' ' 127' ' ' LEU . 8.0 mp 55.28 -116.22 1.02 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.608 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 69.84 32.84 70.28 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.884 -0.887 . . . . 1.0 110.884 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.19 174.01 4.44 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 1.0 110.602 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -46.29 157.69 0.41 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.892 2.395 . . . . 1.0 112.135 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 44.7 mt -69.58 -7.85 42.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.349 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . 0.403 ' NE2' ' CG2' ' A' ' 104' ' ' VAL . 6.0 mm100 -130.21 163.0 27.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.473 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -123.36 82.16 52.72 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.619 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -51.22 142.87 34.94 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.738 2.292 . . . . 1.0 112.032 178.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.412 ' HB ' ' CD2' ' A' ' 139' ' ' HIS . 8.4 t -129.36 137.66 56.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.511 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.578 ' OD2' HAD2 ' A' ' 301' ' ' CYC . 0.0 OUTLIER -45.01 158.7 0.28 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.47 179.751 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.29 -10.67 1.38 Allowed 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.794 2.329 . . . . 1.0 111.939 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.412 ' SG ' ' CHD' ' A' ' 301' ' ' CYC . 0.1 OUTLIER -57.29 -43.21 82.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.373 179.411 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.607 ' CD2' ' N ' ' A' ' 140' ' ' VAL . 0.1 OUTLIER -82.23 -27.86 32.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.234 -178.096 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.607 ' N ' ' CD2' ' A' ' 139' ' ' HIS . 9.8 t -48.31 -64.87 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.551 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.496 ' O ' ' N ' ' A' ' 145' ' ' SER . 84.2 t60 -62.97 -40.93 99.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.462 178.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -49.65 -58.61 4.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.486 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 10.3 mp -63.1 -54.5 36.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.373 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' A' ' 147' ' ' GLY . 0.5 OUTLIER -53.44 -41.41 66.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.473 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.496 ' N ' ' O ' ' A' ' 141' ' ' HIS . 40.0 t -54.76 -28.49 49.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.41 178.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 40.5 mtt -88.22 -2.83 58.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.469 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.547 ' O ' ' NH2' ' A' ' 73' ' ' ARG . . . 70.22 23.4 77.32 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.881 -0.888 . . . . 1.0 110.881 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.504 ' O ' ' CG2' ' A' ' 148' ' ' VAL . 9.0 m -107.82 114.28 45.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.789 0.328 . . . . 1.0 110.654 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -77.02 -31.97 56.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.269 -178.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 95.9 p -109.48 152.21 25.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.903 -0.589 . . . . 1.0 110.101 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 4.2 t -149.93 104.71 3.32 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.719 -0.392 . . . . 1.0 111.082 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 62.6 tp -100.84 116.36 32.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.009 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.475 ' CG2' ' N ' ' A' ' 154' ' ' VAL . 1.3 p -118.17 155.09 20.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.051 0.453 . . . . 1.0 111.183 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.475 ' N ' ' CG2' ' A' ' 153' ' ' VAL . 1.4 t -151.81 121.78 3.54 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.677 -0.692 . . . . 1.0 109.912 -177.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -79.8 144.6 17.38 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.924 2.416 . . . . 1.0 112.706 -176.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 46.3 mt -115.66 95.43 5.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.218 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.595 ' SD ' ' NE2' ' A' ' 99' ' ' GLN . 18.5 ptm -113.65 136.54 52.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.8 -178.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . 0.583 ' ND1' ' CD2' ' A' ' 159' ' ' HIS . 4.8 t-80 -115.7 124.05 49.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.389 177.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.583 ' CD2' ' ND1' ' A' ' 158' ' ' HIS . 68.7 m-70 67.51 -109.61 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.329 -177.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -121.72 4.43 10.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.422 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -117.02 161.18 19.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.575 -177.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 9.0 tp -105.36 123.21 47.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.469 177.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -102.61 -43.64 5.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.882 -176.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -142.85 176.99 22.15 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.258 -0.737 . . . . 1.0 111.258 -177.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.8 tp -145.45 129.34 17.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.687 0.279 . . . . 1.0 110.425 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 38.6 tp -101.0 140.86 34.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.621 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 8.6 p -147.49 148.65 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.793 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.18 144.42 44.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.381 179.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . 0.467 ' O ' ' OD1' ' A' ' 49' ' ' ASP . 95.7 m-70 -143.34 142.4 31.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.786 178.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . 0.71 ' CD2' ' H ' ' A' ' 171' ' ' ALA . 17.6 t-80 -172.48 167.82 5.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.475 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.71 ' H ' ' CD2' ' A' ' 170' ' ' HIS . . . -61.95 179.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.63 177.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -46.99 97.84 0.16 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.591 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . 0.48 ' HD3' ' O ' ' A' ' 171' ' ' ALA . 91.6 Cg_endo -97.27 32.89 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.87 2.38 . . . . 1.0 112.09 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 173' ' ' PRO . 71.6 mtt180 57.44 155.78 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.578 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -53.73 160.53 5.46 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.809 2.34 . . . . 1.0 112.056 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -114.13 139.5 49.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.634 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 23.0 t -89.67 142.07 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.601 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -63.72 -37.09 86.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.558 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -59.99 -49.7 76.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.448 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.06 -32.54 72.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.418 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 26.9 tp -57.89 -42.33 84.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.396 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -58.58 -52.57 65.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.364 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 59.7 t -42.25 -45.63 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.158 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 91.0 t -74.88 -36.96 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.092 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -47.72 -40.52 20.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.062 178.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 11.2 mp -73.2 -34.78 66.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.035 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 23.6 tp -57.19 -32.78 66.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.065 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . 0.425 ' O ' ' CG2' ' A' ' 191' ' ' VAL . . . -74.54 -28.18 60.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.105 178.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . 0.473 ' O ' ' OG ' ' A' ' 192' ' ' SER . 74.9 m-20 -71.64 -41.2 69.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.149 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -54.22 -58.0 9.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.153 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' A' ' 188' ' ' ALA . 14.0 m -52.73 -42.04 40.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.099 179.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' SER . . . . . 0.473 ' OG ' ' O ' ' A' ' 189' ' ' ASP . 3.1 p -47.14 -29.45 2.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.053 -0.522 . . . . 1.0 110.108 178.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 12.6 mm -79.5 -38.8 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.159 178.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.37 -47.92 71.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.255 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 8.8 pt -65.51 -36.53 77.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.346 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . 0.442 ' HB3' ' CD2' ' A' ' 158' ' ' HIS . . . -68.44 -51.97 37.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.31 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -61.38 -24.08 66.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.377 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -74.21 -36.51 63.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.397 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -56.74 -40.6 76.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.413 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 10.5 tp -61.83 -59.77 4.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.513 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 20.8 t -61.42 -47.04 87.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.511 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.402 ' CD2' ' C ' ' A' ' 202' ' ' LEU . 2.7 tt . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.035 -0.983 . . . . 1.0 110.558 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 301' ' ' CYC . . . . . 0.578 HAD2 ' OD2' ' A' ' 136' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.709 0.29 . . . . 1.0 110.538 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.1 p-10 -59.26 -34.27 72.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.615 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -76.57 -54.81 6.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.542 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.504 HG22 HD12 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -61.01 -31.31 49.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.575 -178.824 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.615 ' O ' HG23 ' A' ' 38' ' ' THR . 86.5 mt -78.2 -20.71 51.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.661 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 52.2 ttm-85 -70.96 -31.58 68.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.637 178.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.8 -27.3 26.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.618 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.615 HG23 ' O ' ' A' ' 35' ' ' LEU . 2.5 t -77.94 -42.52 32.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.642 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.521 ' N ' ' CG2' ' A' ' 38' ' ' THR . 11.5 p -57.77 -39.76 72.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.661 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.42 ' N ' HG11 ' A' ' 39' ' ' VAL . 25.6 pt-20 -77.27 -33.17 55.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.612 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.47 -44.74 90.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.512 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.5 t -63.82 -48.69 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.476 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.576 ' O ' ' N ' ' A' ' 47' ' ' GLY . 41.6 ttp180 -47.46 -41.35 20.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.481 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.09 -37.78 83.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.516 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -75.66 -51.22 13.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.547 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.537 ' CD1' ' N ' ' A' ' 46' ' ' LEU . 8.3 mp -80.23 -2.9 46.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.508 179.247 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 41.92 21.37 0.07 OUTLIER Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.997 -0.841 . . . . 1.0 110.997 178.002 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.546 ' OG1' ' ND1' ' A' ' 170' ' ' HIS . 1.2 m -73.51 138.44 45.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.78 0.324 . . . . 1.0 110.622 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.11 -40.33 64.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.573 -177.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 52.8 ttp180 -144.78 127.44 16.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.981 0.42 . . . . 1.0 111.011 -176.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.0 p -144.32 137.68 23.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.823 -0.626 . . . . 1.0 109.862 176.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -143.67 166.1 25.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.146 0.498 . . . . 1.0 111.285 -177.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.8 p -109.51 139.24 33.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.681 -0.691 . . . . 1.0 109.81 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.502 ' HB2' HBB2 ' A' ' 301' ' ' CYC . 15.7 t80 -121.34 120.62 35.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.868 0.366 . . . . 1.0 111.198 -178.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -94.44 164.6 12.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.009 -0.541 . . . . 1.0 109.936 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -130.56 144.93 51.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.901 0.381 . . . . 1.0 110.911 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.421 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 14.7 t70 -116.62 135.76 23.01 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.373 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -44.68 -29.42 3.43 Favored 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.764 2.309 . . . . 1.0 112.082 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -73.94 -8.83 57.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.383 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 101.59 -11.14 57.93 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.781 -0.928 . . . . 1.0 110.781 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.421 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 99.7 m-70 -85.49 140.76 30.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.911 0.386 . . . . 1.0 110.704 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -132.59 154.55 21.14 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.608 -0.997 . . . . 1.0 110.608 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 73.3 p -137.35 157.59 46.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.802 0.334 . . . . 1.0 110.786 -178.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.8 t -101.02 115.5 42.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.144 176.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.9 m -102.75 4.0 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.806 -175.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -159.12 148.47 18.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.925 0.393 . . . . 1.0 110.86 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -166.76 124.94 1.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.298 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -124.85 133.04 53.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.805 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.562 HH21 ' HG ' ' A' ' 76' ' ' SER . 0.0 OUTLIER -118.46 142.1 47.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.533 -179.695 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.512 ' C ' ' H ' ' A' ' 72' ' ' GLU . . . -93.22 -104.7 1.67 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.86 -0.896 . . . . 1.0 110.86 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.64 0.48 1.53 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.767 -0.933 . . . . 1.0 110.767 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.512 ' H ' ' C ' ' A' ' 70' ' ' GLY . 71.9 tt0 60.54 58.01 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.85 0.357 . . . . 1.0 110.621 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -83.03 -56.75 3.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.554 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 27.2 mt -92.95 165.39 18.77 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.552 178.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -78.48 172.01 15.93 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.831 2.354 . . . . 1.0 112.131 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.562 ' HG ' HH21 ' A' ' 69' ' ' ARG . 22.9 t -89.47 129.3 35.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.7 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 34.4 mt -104.49 -11.19 17.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.444 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.2 tp -42.31 137.28 2.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.582 -178.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.41 0.01 73.94 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.8 tp -93.84 127.83 39.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.725 0.298 . . . . 1.0 110.54 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.7 p -98.27 131.04 44.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.636 178.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 23.2 m-85 -102.61 141.37 22.37 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.478 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -78.07 144.68 21.4 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.848 2.365 . . . . 1.0 112.172 178.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.49 -36.16 66.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.73 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.5 -24.48 5.52 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' A' ' 87' ' ' ILE . 50.3 p-10 -55.41 -27.2 46.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.321 . . . . 1.0 110.551 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.576 ' O ' ' O ' ' A' ' 88' ' ' PRO . 93.9 mt -124.55 98.38 37.73 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.537 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.576 ' O ' ' O ' ' A' ' 87' ' ' ILE . 86.7 Cg_exo -44.69 -116.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.836 2.358 . . . . 1.0 112.165 -179.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -151.87 -59.46 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.523 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.403 ' OE1' ' OG ' ' A' ' 114' ' ' SER . 24.0 pt-20 -48.6 -39.82 25.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.513 -179.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.421 ' O ' ' CD1' ' A' ' 95' ' ' PHE . . . -65.84 -35.26 80.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.544 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -73.3 -24.74 60.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.485 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -58.57 -56.56 20.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.429 -178.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.698 ' O ' ' N ' ' A' ' 98' ' ' ALA . 43.8 mt -55.58 -40.33 71.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.537 -179.224 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.421 ' CD1' ' O ' ' A' ' 91' ' ' ALA . 4.6 m-85 -55.75 -50.15 71.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.781 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 16.6 mmm180 -54.27 -21.85 10.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.745 176.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.422 ' N ' ' CD1' ' A' ' 97' ' ' LEU . 10.2 mp -107.87 -26.98 10.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.233 -178.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.698 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -91.46 -37.09 13.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.042 -0.527 . . . . 1.0 110.439 -176.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 98' ' ' ALA . 83.8 mt-30 36.63 61.43 0.84 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.41 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.3 m -143.15 -42.86 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.84 177.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.515 ' O ' HG12 ' A' ' 153' ' ' VAL . 32.5 mtt180 49.0 92.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.222 175.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 47.4 t -144.43 126.33 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.616 178.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.415 HD13 HG23 ' A' ' 103' ' ' ILE . 9.6 mt -108.37 128.98 63.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.721 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.488 ' CG2' ' N ' ' A' ' 105' ' ' ASP . 14.9 p -83.14 169.99 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.253 -179.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.488 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 61.8 m-20 -51.52 121.18 5.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.452 -178.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.9 m -57.97 -10.15 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.562 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -75.85 -35.34 59.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.313 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.07 -14.56 17.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.377 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 50.66 61.96 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.731 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.9 p -85.63 136.44 33.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.432 174.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.3 ptt85 -118.91 129.4 55.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.832 -176.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.542 ' OG ' ' N ' ' A' ' 136' ' ' ASP . 64.1 p -116.51 159.28 22.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.217 177.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.486 ' CG2' ' O ' ' A' ' 112' ' ' SER . 12.3 pt -161.11 169.38 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.764 -178.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.403 ' OG ' ' OE1' ' A' ' 90' ' ' GLU . 8.7 t -74.15 173.52 10.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.67 178.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.467 ' N ' ' CD ' ' A' ' 115' ' ' GLN . 1.5 pm0 -160.03 150.81 15.62 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.478 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.556 ' O ' ' N ' ' A' ' 118' ' ' SER . 61.1 Cg_endo -73.62 140.43 29.61 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.79 2.327 . . . . 1.0 112.186 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 52.14 -82.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.641 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.556 ' N ' ' O ' ' A' ' 116' ' ' PRO . 42.3 t 55.48 169.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.65 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 43.88 -141.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.607 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 98.73 -12.98 62.73 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.861 -0.896 . . . . 1.0 110.861 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 39.4 mt -60.74 -40.63 93.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 1.0 110.602 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -175.02 173.49 2.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.529 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.419 ' O ' ' CD2' ' A' ' 97' ' ' LEU . . . -80.88 -64.83 1.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.53 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 73.4 ttt-85 -103.89 85.92 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.547 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 93.5 t -98.87 110.43 57.44 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.49 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 127' ' ' LEU . 78.7 Cg_exo -46.5 127.03 11.03 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.765 2.31 . . . . 1.0 112.122 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.475 ' CD1' ' N ' ' A' ' 127' ' ' LEU . 9.2 mp 38.51 -110.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.609 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 73.12 28.56 66.17 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -146.97 157.56 46.44 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.933 0.397 . . . . 1.0 110.549 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -46.31 166.9 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.855 2.37 . . . . 1.0 112.165 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 37.9 mt -71.16 -1.82 13.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.504 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -132.75 172.15 12.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.497 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.62 ' HE ' ' N ' ' A' ' 134' ' ' PRO . 0.0 OUTLIER -133.46 86.77 39.48 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.651 -178.857 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . 0.62 ' N ' ' HE ' ' A' ' 133' ' ' ARG . 62.0 Cg_exo -48.95 142.11 20.44 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.777 2.318 . . . . 1.0 111.937 178.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.51 ' CG1' HBD1 ' A' ' 301' ' ' CYC . 3.4 t -131.96 139.03 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.543 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.542 ' N ' ' OG ' ' A' ' 112' ' ' SER . 1.0 OUTLIER -44.58 152.33 0.53 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.435 -179.156 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_exo -46.99 -9.43 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.818 2.346 . . . . 1.0 111.947 178.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.524 ' H ' ' C ' ' A' ' 136' ' ' ASP . 0.0 OUTLIER -58.68 -44.08 90.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.382 179.275 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.557 ' CD2' ' N ' ' A' ' 140' ' ' VAL . 0.1 OUTLIER -82.75 -24.6 33.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.257 -177.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.557 ' N ' ' CD2' ' A' ' 139' ' ' HIS . 10.1 t -50.52 -65.54 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.532 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 145' ' ' SER . 84.0 t60 -62.77 -42.08 99.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.492 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . 0.403 ' CE1' ' OC ' ' A' ' 301' ' ' CYC . 11.4 t80 -48.92 -56.68 8.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.442 178.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.4 mp -64.32 -51.65 62.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.381 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 147' ' ' GLY . 0.3 OUTLIER -57.18 -40.96 78.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.454 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 141' ' ' HIS . 46.4 t -53.41 -29.73 36.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.465 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 23.0 mtt -89.42 -0.16 57.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.432 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 144' ' ' LYS . . . 72.96 24.32 76.2 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 -179.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 150' ' ' SER . 91.0 t -105.06 114.0 43.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.757 0.313 . . . . 1.0 110.707 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -79.03 -38.98 35.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.263 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.528 ' O ' ' CG1' ' A' ' 148' ' ' VAL . 86.6 p -123.17 157.3 33.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.097 -178.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 32.3 t -152.14 126.02 9.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.953 0.406 . . . . 1.0 111.06 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 66.1 tp -110.45 113.74 26.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.003 178.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.527 ' CG2' ' N ' ' A' ' 154' ' ' VAL . 1.0 OUTLIER -111.89 157.88 12.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.115 0.483 . . . . 1.0 111.245 -179.27 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.527 ' N ' ' CG2' ' A' ' 153' ' ' VAL . 86.9 t -155.02 119.66 2.55 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.687 -0.688 . . . . 1.0 109.975 -177.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . 0.453 ' HB3' ' NE ' ' A' ' 101' ' ' ARG . 78.9 Cg_endo -78.94 148.68 22.22 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.901 2.4 . . . . 1.0 112.69 -176.247 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 33.4 mt -118.35 95.47 4.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.246 177.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 17.6 ptm -107.56 135.06 49.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.679 -176.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . 0.532 ' CE1' ' CB ' ' A' ' 196' ' ' ALA . 10.2 t60 -113.98 121.78 44.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.395 176.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.474 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 48.0 t-80 73.51 -110.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.38 -177.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -122.41 -0.21 9.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.468 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -114.94 164.74 13.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.583 -177.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 7.3 mp -104.81 123.17 47.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.438 178.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . 0.469 ' CE3' ' OE2' ' A' ' 199' ' ' GLU . 91.3 m95 -104.33 -41.7 5.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.887 -177.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -138.71 176.52 20.81 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.258 -0.737 . . . . 1.0 111.258 -177.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . 0.407 ' CD1' ' NH1' ' A' ' 101' ' ' ARG . 2.9 tp -148.8 130.03 14.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.76 0.314 . . . . 1.0 110.348 -179.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 32.8 tp -99.24 137.09 38.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.624 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 11.4 p -140.36 140.6 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.739 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 4.1 m -125.84 143.33 51.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.384 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -136.09 136.63 40.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.716 -178.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . 0.546 ' ND1' ' OG1' ' A' ' 48' ' ' THR . 1.1 p-80 -174.22 168.87 3.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.492 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.428 ' O ' ' OG ' ' A' ' 150' ' ' SER . . . -55.32 -163.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.633 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -116.11 84.96 14.46 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.661 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . 0.409 ' HG2' ' H ' ' A' ' 174' ' ' ARG . 73.0 Cg_endo -80.69 -62.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.848 2.365 . . . . 1.0 112.026 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.409 ' H ' ' HG2' ' A' ' 173' ' ' PRO . 7.2 ptp180 -158.69 151.86 18.67 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.574 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -48.75 172.6 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.789 2.326 . . . . 1.0 112.07 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . 0.512 ' HH ' ' HE2' ' A' ' 170' ' ' HIS . 13.8 m-85 -108.5 116.34 31.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.643 179.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' SER . . . . . 0.434 ' OG ' ' OE1' ' A' ' 180' ' ' GLU . 18.3 t -67.45 140.05 57.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.552 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -63.8 -40.86 97.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.507 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.96 -62.89 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.427 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . 0.434 ' OE1' ' OG ' ' A' ' 177' ' ' SER . 39.5 mp0 -60.49 -31.24 70.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.395 -179.134 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 27.6 tp -58.04 -36.31 72.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.393 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -67.12 -50.16 62.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.412 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 56.3 t -42.57 -51.83 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.131 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 26.7 m -73.59 -36.59 47.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.993 -0.548 . . . . 1.0 110.174 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -48.26 -39.19 20.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.095 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 21.6 tp -71.78 -34.92 69.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.071 178.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 14.9 tp -55.85 -31.52 62.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.034 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -73.92 -38.12 64.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.036 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -57.88 -41.74 83.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.197 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -52.93 -53.82 43.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.081 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 93.7 t -55.75 -42.45 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.097 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 3.1 m -50.3 -34.07 22.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.134 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.7 -35.5 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.103 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -67.99 -46.24 71.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.275 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 15.5 tt -65.4 -30.51 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.233 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . 0.532 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.5 -55.73 5.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.409 179.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -59.3 -25.22 63.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.337 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -73.66 -39.15 64.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.48 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . 0.469 ' OE2' ' CE3' ' A' ' 163' ' ' TRP . 84.9 mt-10 -51.36 -37.47 48.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.376 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . 0.438 ' CD1' ' N ' ' A' ' 200' ' ' LEU . 9.8 mp -57.15 -60.05 4.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.479 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 88.9 p -55.29 -43.26 74.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.534 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 10.6 mp . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.958 -1.02 . . . . 1.0 110.591 179.618 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 301' ' ' CYC . . . . . 0.549 ' O1A' HMA2 ' A' ' 301' ' ' CYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.1 tt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.849 0.357 . . . . 1.0 110.597 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -62.58 -36.34 82.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.575 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -74.13 -53.83 9.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.53 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.407 HG23 HD12 ' A' ' 34' ' ' ILE . 32.9 mm -51.59 -54.12 13.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.591 -178.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.459 ' O ' ' OG1' ' A' ' 38' ' ' THR . 29.4 mt -57.19 -32.56 66.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.612 -177.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.5 ttt-85 -50.13 -40.3 45.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.559 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.88 -27.16 43.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.599 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 30.6 p -71.31 -44.71 64.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.707 178.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 42.0 t -58.33 -38.25 68.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.653 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -70.67 -41.71 71.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.542 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.36 -41.34 93.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.452 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.6 t -66.34 -55.72 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.509 -178.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.594 ' O ' ' N ' ' A' ' 47' ' ' GLY . 5.0 ttp180 -48.73 -43.03 37.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.553 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.28 -33.31 67.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.555 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -78.72 -46.53 18.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.542 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 71.8 mt -80.4 -9.45 59.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.519 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.594 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 51.42 25.47 12.88 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.951 -0.86 . . . . 1.0 110.951 177.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.421 ' OG1' ' CG2' ' A' ' 51' ' ' VAL . 43.4 p -76.31 136.51 39.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 1.0 110.581 178.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -55.87 -31.37 62.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.62 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.5 ' NH1' ' O ' ' A' ' 74' ' ' LEU . 2.3 ttm105 -148.09 125.69 11.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.936 0.398 . . . . 1.0 111.073 -177.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.421 ' CG2' ' OG1' ' A' ' 48' ' ' THR . 2.1 t -144.25 135.79 21.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.89 -0.595 . . . . 1.0 109.792 175.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -144.97 161.18 40.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.015 0.436 . . . . 1.0 111.242 -177.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.8 p -103.61 139.15 25.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.662 -0.699 . . . . 1.0 109.851 177.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.481 ' HB2' HBB3 ' A' ' 301' ' ' CYC . 21.5 t80 -123.78 121.26 34.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.876 0.37 . . . . 1.0 111.191 -177.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.0 ttt-85 -95.32 163.19 13.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.972 -0.558 . . . . 1.0 109.944 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.553 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 84.2 t80 -129.61 146.27 51.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.939 0.4 . . . . 1.0 110.873 -178.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.553 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 1.9 m-20 -116.42 162.57 25.85 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.299 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -72.67 -24.68 18.19 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.729 2.286 . . . . 1.0 112.065 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -77.58 -6.67 54.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.372 -178.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.25 20.25 30.73 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.862 -0.895 . . . . 1.0 110.862 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.421 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 76.4 m80 -116.81 141.41 48.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 1.0 110.707 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.4 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -135.64 157.43 23.26 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.624 -0.991 . . . . 1.0 110.624 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 67.8 p -140.26 159.35 42.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.832 0.349 . . . . 1.0 110.728 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.6 t -99.68 117.34 44.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.169 176.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.4 m -103.21 2.0 10.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.828 -175.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -164.87 155.57 14.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.919 0.39 . . . . 1.0 110.863 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.445 ' OE2' ' NE ' ' A' ' 50' ' ' ARG . 66.4 tt0 -165.77 124.8 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.215 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -120.82 146.0 46.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.81 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.526 ' O ' ' NH1' ' A' ' 43' ' ' ARG . 35.6 ptt85 -144.28 145.51 32.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.481 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -96.57 3.49 63.32 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.521 ' O ' ' NH1' ' A' ' 69' ' ' ARG . . . -159.46 -124.9 0.77 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.749 -0.94 . . . . 1.0 110.749 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -173.8 49.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.8 0.333 . . . . 1.0 110.533 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -81.13 -57.33 3.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.502 178.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.5 ' O ' ' NH1' ' A' ' 50' ' ' ARG . 30.6 mt -93.93 148.1 34.66 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.546 177.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.407 ' O ' ' CZ ' ' A' ' 50' ' ' ARG . 27.7 Cg_endo -62.98 165.59 16.2 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.778 2.319 . . . . 1.0 112.154 -179.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 31.1 t -87.11 127.73 35.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.67 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 34.8 mt -102.55 -1.39 30.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.433 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 50.3 tp -54.32 136.35 43.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.528 -178.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.41 -0.19 77.43 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.846 -0.902 . . . . 1.0 110.846 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.427 HD22 ' N ' ' A' ' 81' ' ' THR . 4.1 tt -94.96 129.93 41.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.35 . . . . 1.0 110.55 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.427 ' N ' HD22 ' A' ' 80' ' ' LEU . 9.8 t -95.44 127.48 41.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.676 178.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 28.4 m-85 -101.72 148.64 35.56 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.476 -179.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.83 146.06 14.57 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.865 2.376 . . . . 1.0 112.167 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.37 -35.58 76.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.583 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.68 -23.7 7.0 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.993 -0.843 . . . . 1.0 110.993 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.562 ' OD2' HMB3 ' A' ' 301' ' ' CYC . 51.3 t0 -56.52 -31.46 64.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 1.0 110.577 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.475 ' O ' ' O ' ' A' ' 88' ' ' PRO . 7.1 mt -127.23 89.05 52.69 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.609 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.495 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 63.1 Cg_exo -33.83 -101.1 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.867 2.378 . . . . 1.0 112.179 -178.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.495 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 82.1 tt0 -169.06 -32.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.566 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -64.57 -38.84 92.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.555 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.0 -33.19 75.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.524 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -70.19 -23.13 62.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.453 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.576 ' O ' ' N ' ' A' ' 97' ' ' LEU . 94.0 mtt180 -56.43 -57.83 10.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.444 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.576 ' O ' ' N ' ' A' ' 98' ' ' ALA . 21.4 mt -54.92 -37.45 66.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.504 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.558 ' CZ ' HBA1 ' A' ' 301' ' ' CYC . 8.0 m-85 -65.14 -42.09 94.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.756 178.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 45.8 mtm-85 -86.6 -17.09 34.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.71 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.576 ' N ' ' O ' ' A' ' 93' ' ' ARG . 22.8 tp -102.1 -51.63 3.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.277 -176.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.576 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -102.61 -10.79 18.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.442 -176.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.487 ' C ' ' O ' ' A' ' 98' ' ' ALA . 89.7 mt-30 34.99 63.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.338 178.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.607 ' C ' ' HE ' ' A' ' 101' ' ' ARG . 15.4 t -107.21 -50.8 7.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.781 176.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.607 ' HE ' ' C ' ' A' ' 100' ' ' VAL . 0.2 OUTLIER 56.45 64.23 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.284 173.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 12.3 p -146.04 124.26 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.62 179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.425 ' CD1' ' N ' ' A' ' 103' ' ' ILE . 1.7 mp -111.19 132.91 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.778 178.01 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -83.64 171.42 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.335 -178.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.445 ' C ' ' H ' ' A' ' 107' ' ' GLU . 65.4 m-20 -50.69 120.33 4.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.458 -178.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 15.6 m -57.07 -8.28 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.547 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.445 ' H ' ' C ' ' A' ' 105' ' ' ASP . 7.2 pt-20 -78.22 -31.52 49.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.342 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.57 -12.61 6.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.362 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 48.53 60.24 3.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.678 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.14 140.67 29.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.37 175.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 83.0 mtm-85 -122.57 128.99 51.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.855 -177.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.2 t -138.69 116.66 11.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.234 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -119.45 -166.83 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.769 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 79.1 p -76.07 172.87 12.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.679 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -173.9 130.65 0.52 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.491 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -38.65 109.24 0.08 OUTLIER 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.859 2.372 . . . . 1.0 112.137 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.528 ' OE1' ' NE1' ' A' ' 119' ' ' TRP . 3.1 pp20? -166.24 174.75 8.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.587 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.455 ' N ' ' OE1' ' A' ' 117' ' ' GLU . 77.3 p -148.25 166.55 27.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.644 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.528 ' NE1' ' OE1' ' A' ' 117' ' ' GLU . 90.4 m95 -141.76 -166.66 2.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.59 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 95.0 15.72 44.1 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 31.3 mt -83.43 139.57 32.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.77 0.319 . . . . 1.0 110.546 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 71.0 m -79.79 -7.64 58.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.536 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.57 -40.64 95.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.54 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 7.8 tpp85 60.6 88.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.58 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 2.0 m -82.07 117.37 68.11 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.574 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -77.63 134.72 13.92 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.829 2.352 . . . . 1.0 112.062 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.484 ' CD1' ' N ' ' A' ' 127' ' ' LEU . 8.5 mp 40.73 -114.05 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.592 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 68.98 25.74 75.18 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -135.72 160.06 69.0 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.979 0.418 . . . . 1.0 110.551 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.528 ' O ' ' NH2' ' A' ' 133' ' ' ARG . 89.1 Cg_exo -45.26 166.16 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.863 2.375 . . . . 1.0 112.231 178.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 35.4 mt -79.86 4.61 16.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.44 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -139.04 162.59 34.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.503 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.572 ' CA ' ' HE ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -114.81 105.26 53.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.665 -179.287 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -80.05 140.96 14.51 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.725 2.284 . . . . 1.0 112.02 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.507 ' CG2' ' ND1' ' A' ' 139' ' ' HIS . 18.1 m -132.27 142.13 43.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.509 -178.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -40.15 155.77 0.18 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.451 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.743 ' O ' HG21 ' A' ' 140' ' ' VAL . 15.9 Cg_endo -58.73 -49.18 12.3 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.774 2.316 . . . . 1.0 111.888 -178.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.53 ' SG ' ' CHD' ' A' ' 301' ' ' CYC . 0.5 OUTLIER -47.21 -18.89 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.388 -179.375 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.507 ' ND1' ' CG2' ' A' ' 135' ' ' VAL . 42.9 t-80 -90.87 -49.48 6.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.265 177.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.743 HG21 ' O ' ' A' ' 137' ' ' PRO . 2.4 m -54.16 -42.76 57.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.969 -0.559 . . . . 1.0 110.54 -178.318 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.513 ' N ' ' CG2' ' A' ' 140' ' ' VAL . 86.2 t60 -67.51 -42.78 82.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.492 177.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . 0.428 ' CE2' ' CE ' ' A' ' 146' ' ' MET . 39.5 t80 -46.98 -43.4 19.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.414 178.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 11.0 mp -69.25 -48.18 62.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.419 177.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -57.54 -39.67 77.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.46 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 29.0 m -52.59 -28.28 20.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.506 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.428 ' CE ' ' CE2' ' A' ' 142' ' ' TYR . 28.0 mtt -93.07 1.31 57.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.465 177.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 70.87 22.06 78.23 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.931 -0.867 . . . . 1.0 110.931 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.438 ' CG1' ' O ' ' A' ' 150' ' ' SER . 81.2 t -107.24 113.71 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.72 0.295 . . . . 1.0 110.753 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -91.17 -22.14 20.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.197 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.438 ' O ' ' CG1' ' A' ' 148' ' ' VAL . 24.9 t -110.69 136.18 50.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.192 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 2.2 t -142.62 120.88 12.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.914 0.388 . . . . 1.0 111.11 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 19.6 tp -118.88 135.95 54.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.998 -0.546 . . . . 1.0 109.994 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.12 154.18 37.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.123 0.487 . . . . 1.0 111.195 -178.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 93.9 t -156.28 79.34 4.01 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.687 -0.688 . . . . 1.0 109.973 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -51.31 154.26 8.51 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.993 2.462 . . . . 1.0 112.676 -176.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 31.5 mt -117.52 96.72 5.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.859 -0.61 . . . . 1.0 110.195 178.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 20.8 ptm -108.12 136.69 47.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.741 -177.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . 0.509 ' CE1' ' CB ' ' A' ' 196' ' ' ALA . 38.1 t60 -111.25 124.0 51.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.43 176.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.448 ' CE1' ' NE2' ' A' ' 158' ' ' HIS . 5.8 m-70 63.77 -103.31 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.447 -177.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.86 -0.11 8.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.411 -178.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -111.4 160.09 17.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.516 -176.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 6.0 tt -107.29 122.33 46.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.401 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -103.36 -39.37 6.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.921 -176.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -140.73 176.66 21.36 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.226 -0.749 . . . . 1.0 111.226 -177.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 26.7 tp -146.4 129.1 16.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.768 0.318 . . . . 1.0 110.405 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 5.8 tp -99.71 142.56 31.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.615 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 9.0 p -151.29 142.28 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.693 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.504 ' O ' ' ND1' ' A' ' 169' ' ' HIS . 13.2 p -126.99 146.16 50.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.417 178.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . 0.504 ' ND1' ' O ' ' A' ' 168' ' ' SER . 9.7 m80 -142.5 134.55 27.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.78 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -172.59 169.87 4.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.518 -178.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -54.58 -171.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.622 179.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -115.84 86.34 16.03 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.6 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -81.44 -59.95 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.881 2.388 . . . . 1.0 112.061 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -153.73 152.07 26.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.532 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -50.02 168.96 0.15 Allowed 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.711 2.274 . . . . 1.0 112.062 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -113.43 142.12 46.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.581 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 31.8 t -90.37 131.82 35.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.56 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -67.14 -39.59 86.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.505 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -60.6 -59.29 5.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.431 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -59.45 -34.08 72.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.471 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 27.5 tp -60.74 -38.39 85.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.451 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.526 ' NE2' ' OE1' ' A' ' 185' ' ' GLN . 60.2 tp60 -56.84 -53.98 51.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.284 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 97.6 t -43.42 -42.03 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.148 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 187' ' ' LEU . 90.2 t -72.65 -38.93 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.164 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.526 ' OE1' ' NE2' ' A' ' 182' ' ' GLN . 56.0 tt0 -46.27 -36.99 6.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.082 178.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 9.9 mp -69.31 -36.35 76.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.006 177.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 184' ' ' VAL . 1.1 tt -55.24 -31.2 61.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.079 178.272 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -73.82 -38.91 64.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.079 178.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . 0.472 ' O ' ' OG ' ' A' ' 192' ' ' SER . 87.1 m-20 -57.02 -41.39 78.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.243 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . 0.417 ' O ' HG22 ' A' ' 193' ' ' ILE . 97.6 mm-40 -53.26 -55.82 21.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.152 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 194' ' ' ALA . 82.4 t -53.76 -40.36 43.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.131 178.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 192' ' ' SER . . . . . 0.472 ' OG ' ' O ' ' A' ' 189' ' ' ASP . 3.5 p -47.1 -29.59 2.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.078 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . 0.482 HG22 ' N ' ' A' ' 194' ' ' ALA . 3.3 tt -80.07 -33.24 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.082 179.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . 0.482 ' N ' HG22 ' A' ' 193' ' ' ILE . . . -72.28 -47.48 49.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.248 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 21.0 tt -63.18 -37.9 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.257 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . 0.509 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.32 -53.85 8.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.413 179.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -59.67 -26.85 65.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.379 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -73.95 -38.4 64.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.432 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -52.98 -36.62 60.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.358 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 38.9 mt -62.02 -57.21 12.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.449 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 19.6 m -55.39 -43.49 75.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.46 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.427 ' CD1' ' N ' ' A' ' 202' ' ' LEU . 10.3 mp . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.962 -1.018 . . . . 1.0 110.539 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 301' ' ' CYC . . . . . 0.562 HMB3 ' OD2' ' A' ' 86' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.0 tp . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.769 0.319 . . . . 1.0 110.575 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 33' ' ' GLN . 31.3 p-10 -66.42 -33.31 75.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.574 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.407 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 96.2 mt-30 -76.94 -54.61 6.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.586 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.483 ' O ' ' CD1' ' A' ' 34' ' ' ILE . 0.3 OUTLIER -56.9 -35.07 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.544 -178.484 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.41 ' N ' ' CG2' ' A' ' 34' ' ' ILE . 79.3 mt -74.64 -27.81 60.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.655 -179.334 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.401 ' O ' HG12 ' A' ' 39' ' ' VAL . 61.4 ttt180 -56.96 -35.02 68.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.602 179.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.47 -26.38 32.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.644 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.482 ' HG1' ' N ' ' A' ' 39' ' ' VAL . 68.5 p -73.49 -47.31 42.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.633 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.482 ' N ' ' HG1' ' A' ' 38' ' ' THR . 7.6 p -58.7 -35.92 57.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.682 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -74.87 -45.13 45.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.576 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -60.62 -39.97 90.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.489 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.0 t -65.58 -55.77 18.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.526 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.574 ' O ' ' N ' ' A' ' 47' ' ' GLY . 9.3 tmm_? -51.67 -41.52 61.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.499 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.2 80.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.552 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -80.02 -48.15 13.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.551 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.0 mt -79.62 -8.15 59.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.567 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 39.5 66.96 0.66 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.994 -0.842 . . . . 1.0 110.994 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.544 ' HG1' ' HG ' ' A' ' 168' ' ' SER . 0.1 OUTLIER -119.37 139.96 51.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.879 0.371 . . . . 1.0 110.61 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.565 ' CG ' ' HE ' ' A' ' 73' ' ' ARG . 74.5 m-20 -47.74 -37.41 13.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.614 -176.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -149.16 130.02 14.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.967 0.413 . . . . 1.0 111.011 -177.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.403 ' CG2' ' OG1' ' A' ' 48' ' ' THR . 45.3 t -140.56 131.25 28.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.846 -0.615 . . . . 1.0 109.817 175.114 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -145.55 151.84 38.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.099 0.476 . . . . 1.0 111.234 -177.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 90.1 t -98.1 138.39 22.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.699 -0.682 . . . . 1.0 109.856 177.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -122.47 120.13 32.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 1.0 111.146 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.1 mtm180 -95.97 166.3 11.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.0 -0.546 . . . . 1.0 109.932 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.523 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 82.3 t80 -130.48 146.67 52.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.959 0.409 . . . . 1.0 110.89 -178.205 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.523 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 22.7 m-20 -116.95 148.5 42.32 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.291 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.76 -25.12 74.68 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.682 2.255 . . . . 1.0 112.038 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -77.34 -4.94 47.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.413 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.32 21.45 32.28 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.416 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 79.0 m80 -117.84 141.99 47.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 1.0 110.777 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -133.54 154.94 21.49 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.622 -0.991 . . . . 1.0 110.622 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.0 p -135.12 156.29 49.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.781 0.324 . . . . 1.0 110.746 -178.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.4 t -96.73 113.49 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.184 176.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.4 p -103.57 1.58 10.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.804 -175.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -162.31 149.56 13.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.375 . . . . 1.0 110.909 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.473 ' CD ' ' O ' ' A' ' 67' ' ' GLU . 2.0 pp20? -164.94 125.89 2.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.277 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -124.25 149.39 46.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.764 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.527 ' NH1' ' O ' ' A' ' 71' ' ' GLY . 36.4 ptt85 -146.28 148.13 32.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.02 -0.537 . . . . 1.0 110.509 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.92 -19.15 25.11 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.527 ' O ' ' NH1' ' A' ' 69' ' ' ARG . . . -130.28 -127.69 2.93 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.743 -0.943 . . . . 1.0 110.743 178.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -174.04 62.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.776 0.322 . . . . 1.0 110.618 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.565 ' HE ' ' CG ' ' A' ' 49' ' ' ASP . 8.6 ptp180 -91.91 -16.51 26.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.559 177.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.2 mt -134.36 164.15 46.1 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.477 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -81.63 174.84 10.04 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.705 2.27 . . . . 1.0 112.111 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.9 p -88.64 130.85 35.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.665 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.0 mt -102.38 -11.29 18.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.476 -178.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.2 tp -42.87 134.07 3.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.545 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.26 -1.44 79.75 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.9 tp -94.55 127.92 40.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.789 0.328 . . . . 1.0 110.554 -179.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.1 t -96.98 128.46 43.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.636 178.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -99.4 140.75 21.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.533 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -75.53 139.57 23.09 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.818 2.345 . . . . 1.0 112.188 178.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.38 -33.23 65.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.605 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.69 -24.91 6.27 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.026 -0.83 . . . . 1.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -55.46 -31.42 61.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 1.0 110.607 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 8.3 mt -133.98 90.0 27.82 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.499 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.418 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 79.7 Cg_exo -37.72 -94.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.885 2.39 . . . . 1.0 112.079 -178.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.418 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 83.1 tt0 -170.08 -49.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.579 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -48.09 -38.6 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.588 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.455 ' O ' ' CD2' ' A' ' 95' ' ' PHE . . . -66.7 -41.25 88.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.57 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -60.14 -22.58 63.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.555 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 58.9 mtp85 -68.04 -52.58 33.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.502 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.57 ' O ' ' N ' ' A' ' 98' ' ' ALA . 9.1 mp -44.6 -55.41 5.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.422 -178.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.566 ' O ' ' N ' ' A' ' 99' ' ' GLN . 9.2 m-85 -66.85 -30.16 70.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.765 -178.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -63.94 -25.48 68.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.697 175.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.0 mp -107.43 -31.18 8.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.213 178.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.671 ' CB ' HH12 ' A' ' 133' ' ' ARG . . . -94.59 -30.28 14.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.376 -177.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.566 ' N ' ' O ' ' A' ' 95' ' ' PHE . 91.4 mt-30 38.32 66.09 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.341 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.6 m -136.4 -42.79 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.77 177.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.531 ' NE ' ' CG ' ' A' ' 95' ' ' PHE . 24.4 mmt180 53.09 82.1 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.383 -0.372 . . . . 1.0 110.231 176.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 34.2 m -146.94 122.7 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.605 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.497 ' CD1' ' N ' ' A' ' 103' ' ' ILE . 1.9 mp -109.33 136.42 45.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.701 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.8 m -81.81 171.71 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.297 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.401 ' OD1' ' OE2' ' A' ' 172' ' ' GLU . 0.3 OUTLIER -47.04 118.35 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.478 -178.485 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.9 m -58.29 -11.23 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.495 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -79.98 -28.15 39.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.362 179.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.05 -12.7 8.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.378 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 50.62 61.69 3.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.667 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.8 p -86.1 139.47 31.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.367 175.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -122.26 129.32 52.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.822 -177.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.474 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 6.4 t -141.62 117.16 10.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.268 177.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.482 HG21 ' H ' ' A' ' 114' ' ' SER . 0.2 OUTLIER -122.65 -163.46 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.732 -179.369 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.482 ' H ' HG21 ' A' ' 113' ' ' ILE . 60.5 p -77.21 169.63 17.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.654 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -173.76 68.16 0.33 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.528 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_exo -48.43 108.94 0.21 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.801 2.334 . . . . 1.0 112.205 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -172.53 -127.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.636 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.405 ' O ' ' CD2' ' A' ' 121' ' ' LEU . 48.9 p -82.98 -0.51 49.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.614 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -75.08 142.86 43.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.558 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 79.71 53.42 4.31 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.405 ' CD2' ' O ' ' A' ' 118' ' ' SER . 63.5 mt -81.34 140.31 34.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.852 0.358 . . . . 1.0 110.56 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 53.0 p -78.74 -3.1 42.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.538 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.15 -24.42 66.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.567 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 64.15 51.46 2.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.592 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 27.5 m -72.57 141.86 83.18 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.539 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.07 127.29 12.65 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.811 2.341 . . . . 1.0 112.02 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 7.5 tp 39.63 -118.49 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.639 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 75.98 26.97 63.28 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -135.53 170.75 10.29 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 120.914 0.388 . . . . 1.0 110.578 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_exo -49.63 155.07 4.0 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.873 2.382 . . . . 1.0 112.103 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.479 ' CD1' ' N ' ' A' ' 131' ' ' LEU . 8.7 mp -71.45 -3.78 22.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.496 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -133.4 158.29 43.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.423 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.671 HH12 ' CB ' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -115.66 108.56 46.83 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.725 -179.581 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -80.25 144.39 16.38 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.718 2.279 . . . . 1.0 111.977 178.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 34.6 m -126.44 136.19 61.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.577 -179.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.532 ' CG ' HMD2 ' A' ' 301' ' ' CYC . 0.1 OUTLIER -44.23 157.5 0.29 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.502 179.244 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.66 -30.13 82.5 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.819 2.346 . . . . 1.0 111.924 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.826 ' CA ' HBC2 ' A' ' 301' ' ' CYC . 0.0 OUTLIER -53.22 -39.26 63.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.353 179.452 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.466 ' N ' ' SG ' ' A' ' 138' ' ' CYS . 48.0 t-80 -81.79 -36.92 27.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.275 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 65.2 t -49.98 -55.06 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.494 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -64.83 -39.15 93.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.436 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -45.47 -49.77 13.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.499 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 76.9 mt -67.16 -51.03 58.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.4 178.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -53.71 -39.82 65.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.414 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.9 t -55.08 -28.1 49.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.59 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 23.3 mtt -89.34 0.29 56.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.464 177.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 69.96 25.39 75.65 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 178.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.509 ' CG1' ' O ' ' A' ' 148' ' ' VAL . 6.2 p -110.03 119.69 59.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.766 0.317 . . . . 1.0 110.668 179.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -82.57 -33.57 28.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.241 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 73.8 m -110.16 146.65 35.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.152 -178.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.416 ' O ' ' OG ' ' A' ' 151' ' ' SER . 0.0 OUTLIER -139.09 106.0 5.42 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.806 -0.357 . . . . 1.0 111.103 -179.611 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 22.7 tp -101.94 117.01 33.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.05 -0.523 . . . . 1.0 109.972 178.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.496 ' CG2' ' N ' ' A' ' 154' ' ' VAL . 2.4 p -128.57 158.38 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.282 -178.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.496 ' N ' ' CG2' ' A' ' 153' ' ' VAL . 10.6 t -150.34 137.09 11.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.649 -0.705 . . . . 1.0 109.926 -178.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -94.1 148.77 2.05 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.941 2.427 . . . . 1.0 112.693 -175.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 32.8 mt -117.67 98.05 6.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.196 178.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 41.5 mtp -108.24 124.45 50.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.768 -178.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . 0.635 ' ND1' ' NE2' ' A' ' 159' ' ' HIS . 4.4 t-80 -109.58 124.34 50.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.425 176.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.635 ' NE2' ' ND1' ' A' ' 158' ' ' HIS . 70.8 m-70 68.47 -112.09 0.12 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.452 -177.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -121.06 0.93 10.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.455 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -117.55 166.78 11.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.54 -177.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 5.9 tt -104.42 121.18 42.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.467 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . 0.401 ' CD1' ' HB3' ' A' ' 158' ' ' HIS . 59.7 m95 -103.1 -43.47 5.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.849 -176.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -136.95 176.64 20.32 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.28 -0.728 . . . . 1.0 111.28 -177.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.3 tp -150.0 125.37 10.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.744 0.307 . . . . 1.0 110.477 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.433 ' O ' ' O ' ' A' ' 154' ' ' VAL . 60.4 tp -99.14 135.9 39.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.561 178.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 14.8 p -142.59 146.46 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.672 -178.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.544 ' HG ' ' HG1' ' A' ' 48' ' ' THR . 46.7 t -135.43 146.1 47.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.364 178.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -139.18 140.43 37.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.794 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . 0.49 ' ND1' ' HB ' ' A' ' 48' ' ' THR . 1.3 p-80 -172.43 168.97 5.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.496 -178.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -53.8 -172.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.621 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . 0.401 ' OE2' ' OD1' ' A' ' 105' ' ' ASP . 45.7 tt0 -120.33 80.47 29.08 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.6 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -84.47 -42.36 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.857 2.371 . . . . 1.0 112.171 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -154.5 154.11 28.93 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.575 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -68.28 178.46 3.65 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.826 2.351 . . . . 1.0 112.04 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -113.89 132.26 55.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.575 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 25.7 t -82.66 143.41 30.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.527 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -66.47 -42.11 88.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.465 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -60.79 -54.44 45.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.496 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -65.6 -29.08 69.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.421 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 31.5 tp -60.4 -31.25 70.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.386 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -71.01 -52.45 19.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.342 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 61.8 t -42.95 -48.68 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.152 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 187' ' ' LEU . 31.3 m -73.85 -37.24 47.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.217 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -47.05 -37.29 9.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.081 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 59.3 mt -73.08 -33.11 65.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.062 178.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 184' ' ' VAL . 9.7 tp -56.47 -32.69 65.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.019 178.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -74.26 -38.65 63.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.076 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -56.36 -41.25 75.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.149 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -54.32 -54.14 44.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.174 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 94.9 t -54.93 -44.31 72.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.116 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 6.4 t -48.56 -34.19 11.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.137 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 70.0 mt -79.48 -32.7 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.171 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -68.03 -44.54 76.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.266 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 12.5 tt -65.19 -32.49 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.231 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -76.3 -57.54 3.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.402 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -55.33 -26.62 41.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.385 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -75.3 -36.18 61.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.432 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -49.57 -36.63 24.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.443 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 42.6 mt -53.0 -60.82 2.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.493 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 27.8 m -49.02 -39.62 27.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.445 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.42 ' CD1' ' N ' ' A' ' 202' ' ' LEU . 10.2 mp . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.952 -1.023 . . . . 1.0 110.557 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 301' ' ' CYC . . . . . 0.826 HBC2 ' CA ' ' A' ' 138' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 22.1 tp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.848 0.356 . . . . 1.0 110.537 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -68.83 -31.54 70.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.598 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -78.04 -52.24 9.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.586 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.2 tp -62.66 -29.3 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.534 -178.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.47 ' O ' HG22 ' A' ' 38' ' ' THR . 82.6 mt -79.48 -22.73 43.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.619 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -76.21 -39.72 53.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.529 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.86 -34.3 45.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.608 -177.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.532 ' CG2' ' N ' ' A' ' 39' ' ' VAL . 4.3 t -65.92 -43.91 86.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.636 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.532 ' N ' ' CG2' ' A' ' 38' ' ' THR . 10.7 t -57.08 -36.83 52.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.68 178.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.06 -35.67 79.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.581 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -65.92 -41.84 90.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.513 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.1 t -61.55 -41.5 90.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.543 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.574 ' O ' ' N ' ' A' ' 47' ' ' GLY . 1.2 tmm_? -58.86 -51.96 67.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.537 179.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.423 ' N ' ' HE ' ' A' ' 43' ' ' ARG . . . -59.47 -41.12 89.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.505 -179.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -75.22 -53.9 8.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.569 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.54 ' O ' ' N ' ' A' ' 48' ' ' THR . 1.3 tp -77.67 -3.21 39.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.54 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 42.47 19.13 0.05 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 178.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.54 ' N ' ' O ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -73.13 139.04 46.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.825 0.345 . . . . 1.0 110.634 179.816 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.49 ' OD2' ' CZ ' ' A' ' 73' ' ' ARG . 72.2 m-20 -53.8 -37.13 63.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.63 -177.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.496 ' NH2' ' SD ' ' A' ' 146' ' ' MET . 60.2 ttp180 -146.38 128.58 15.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.957 0.408 . . . . 1.0 111.045 -176.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -141.15 134.64 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.822 -0.626 . . . . 1.0 109.853 175.415 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -145.32 153.51 41.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.032 0.444 . . . . 1.0 111.241 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.8 t -96.29 136.31 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.697 -0.683 . . . . 1.0 109.841 177.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.665 ' CB ' HBB2 ' A' ' 301' ' ' CYC . 25.7 t80 -117.81 117.0 28.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.845 0.355 . . . . 1.0 111.2 -178.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.8 mtm180 -95.43 163.06 13.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.994 -0.548 . . . . 1.0 109.892 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.53 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 85.1 t80 -129.83 146.12 51.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.892 0.377 . . . . 1.0 110.914 -178.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.53 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 1.1 m-20 -113.7 148.07 39.0 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.293 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -60.84 -24.43 79.09 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.71 2.273 . . . . 1.0 112.063 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -77.53 -9.77 59.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.43 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 98.96 23.07 11.97 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.821 -0.912 . . . . 1.0 110.821 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -115.29 136.11 53.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 1.0 110.68 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -123.81 143.53 14.97 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.645 -0.982 . . . . 1.0 110.645 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 81.7 p -133.33 153.3 51.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.81 0.338 . . . . 1.0 110.752 -178.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.686 ' CG1' ' H ' ' A' ' 79' ' ' GLY . 7.5 p -103.19 118.4 50.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.158 176.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.5 m -107.12 3.33 10.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.825 -175.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -157.31 145.25 19.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.92 0.39 . . . . 1.0 110.858 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.529 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 89.3 tt0 -167.41 126.42 1.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.215 179.058 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -128.19 145.94 50.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.769 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.449 ' NH1' ' O ' ' A' ' 74' ' ' LEU . 80.3 mtm180 -134.78 145.08 48.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.451 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -95.64 -53.89 1.5 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -91.67 -131.21 5.18 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.695 -0.962 . . . . 1.0 110.695 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.0 tp10 -173.25 56.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 1.0 110.588 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.49 ' CZ ' ' OD2' ' A' ' 49' ' ' ASP . 16.8 ptp180 -90.92 -48.15 7.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.462 177.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.449 ' O ' ' NH1' ' A' ' 69' ' ' ARG . 10.0 mt -103.12 148.87 36.29 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.511 178.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -66.88 175.17 5.74 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.739 2.292 . . . . 1.0 112.127 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 32.9 t -90.63 136.51 33.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.697 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.482 ' O ' ' C ' ' A' ' 78' ' ' LEU . 30.1 mt -109.2 -15.49 14.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.476 -179.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.529 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 8.4 tp -33.59 136.1 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.521 -178.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.686 ' H ' ' CG1' ' A' ' 64' ' ' VAL . . . 92.12 0.37 71.13 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 30.8 tp -86.41 125.07 33.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.769 0.318 . . . . 1.0 110.54 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 14.3 p -101.5 129.19 47.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.648 177.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 4.0 m-85 -103.42 147.58 34.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.509 -179.121 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -79.97 145.65 17.77 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.854 2.369 . . . . 1.0 112.167 177.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.31 -38.4 71.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.691 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.85 -23.6 7.21 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.006 -0.837 . . . . 1.0 111.006 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -55.25 -26.54 40.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.745 0.307 . . . . 1.0 110.525 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.465 ' O ' ' O ' ' A' ' 88' ' ' PRO . 93.9 mt -134.54 93.18 18.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.53 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.465 ' O ' ' O ' ' A' ' 87' ' ' ILE . 85.6 Cg_exo -40.39 -103.54 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.775 2.316 . . . . 1.0 112.203 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.482 ' HG2' ' H ' ' A' ' 90' ' ' GLU . 1.1 pm0 -162.24 -53.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.51 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.482 ' H ' ' HG2' ' A' ' 89' ' ' GLU . 20.0 pt-20 -46.2 -39.83 10.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.553 -177.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.403 ' HB1' HBA1 ' A' ' 301' ' ' CYC . . . -69.34 -43.69 73.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.569 179.116 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -67.42 -27.5 67.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.542 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 59.5 mtp85 -59.67 -52.89 63.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.523 -178.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 98' ' ' ALA . 18.0 tp -52.31 -44.56 65.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.469 -178.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.437 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 7.4 m-85 -55.1 -31.12 60.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.782 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 70.3 mtm180 -84.91 -18.48 34.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.696 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.9 mp -103.15 -50.97 3.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.235 -177.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -99.52 -15.55 18.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.49 -174.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.482 ' C ' ' O ' ' A' ' 98' ' ' ALA . 90.4 mt-30 34.66 61.63 0.56 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.34 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.596 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 35.2 m -93.39 -44.52 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.77 177.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.596 ' CG ' ' O ' ' A' ' 100' ' ' VAL . 46.8 ptt85 47.1 49.55 14.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.338 173.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.8 p -144.62 125.63 8.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.617 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.458 ' CG2' ' OG ' ' A' ' 151' ' ' SER . 1.6 mp -112.66 134.81 54.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.7 179.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -84.47 171.67 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.289 -179.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -51.18 121.9 6.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.45 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 15.5 m -58.98 -9.72 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.547 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -75.71 -34.63 60.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.304 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.33 -10.62 2.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.356 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 47.02 62.42 2.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.729 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.74 136.63 33.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.393 175.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 74.6 mtp85 -120.55 132.18 55.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.835 -176.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.443 ' O ' ' CG ' ' A' ' 136' ' ' ASP . 0.1 OUTLIER -143.99 116.17 8.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.242 177.626 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 21.8 pt -118.94 -167.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.794 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 79.1 p -79.56 169.74 17.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.65 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.474 ' OE1' ' CZ3' ' A' ' 119' ' ' TRP . 1.4 pt20 -168.14 151.01 5.43 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.432 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.07 -26.53 30.71 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.914 2.409 . . . . 1.0 112.152 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -106.21 156.49 18.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.62 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 87.1 p -141.27 158.53 43.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.589 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.474 ' CZ3' ' OE1' ' A' ' 115' ' ' GLN . 38.6 p90 -142.51 161.69 37.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.587 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 83.44 12.41 78.42 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.951 -0.86 . . . . 1.0 110.951 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 18.9 tp -90.74 128.6 36.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 1.0 110.547 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 59.3 m -150.16 174.53 12.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.509 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.1 -42.31 76.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.616 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -178.76 63.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.511 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 71.7 t -93.01 120.1 67.27 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.544 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -78.09 130.72 10.46 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.849 2.366 . . . . 1.0 112.096 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 26.4 mt 59.11 -124.72 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.607 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 63.75 33.22 86.67 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -134.11 157.84 76.7 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.943 0.401 . . . . 1.0 110.542 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -45.37 154.79 0.47 Allowed 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.916 2.411 . . . . 1.0 112.162 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 47.0 mt -70.15 -18.93 63.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.438 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . 0.41 ' CD ' ' O ' ' A' ' 132' ' ' GLN . 0.0 OUTLIER -132.13 129.35 39.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.431 -179.537 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -112.37 103.48 55.44 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.693 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -48.5 146.96 9.76 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.743 2.295 . . . . 1.0 111.985 177.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -127.82 137.78 56.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.562 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.492 ' OD1' HAD2 ' A' ' 301' ' ' CYC . 0.3 OUTLIER -42.29 150.74 0.38 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.493 -179.704 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -50.54 -10.29 0.26 Allowed 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.854 2.369 . . . . 1.0 111.918 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.456 ' H ' ' C ' ' A' ' 136' ' ' ASP . 0.7 OUTLIER -68.85 -43.15 76.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.386 179.127 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.441 ' NE2' ' CD1' ' A' ' 143' ' ' LEU . 0.0 OUTLIER -82.39 -41.2 20.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.302 -175.357 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.61 ' CG2' ' N ' ' A' ' 141' ' ' HIS . 1.7 m -54.71 -48.96 71.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.527 -178.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.61 ' N ' ' CG2' ' A' ' 140' ' ' VAL . 31.1 t-80 -69.45 -41.91 75.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.448 178.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . 0.506 ' CZ ' ' CE ' ' A' ' 146' ' ' MET . 52.5 t80 -45.8 -42.75 12.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.459 178.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.441 ' CD1' ' NE2' ' A' ' 139' ' ' HIS . 83.9 mt -71.37 -48.38 50.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.454 177.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -57.86 -42.86 85.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.472 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.508 ' OG ' ' CE1' ' A' ' 141' ' ' HIS . 25.9 m -54.6 -27.7 41.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.417 178.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.506 ' CE ' ' CZ ' ' A' ' 142' ' ' TYR . 28.8 mtt -92.59 0.04 57.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.465 177.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 71.74 24.88 76.11 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 178.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.563 ' CG2' ' O ' ' A' ' 150' ' ' SER . 0.4 OUTLIER -113.02 122.06 66.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.836 0.351 . . . . 1.0 110.616 178.844 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -89.84 -24.57 21.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.293 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.563 ' O ' ' CG2' ' A' ' 148' ' ' VAL . 50.2 m -108.06 135.03 50.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.18 -178.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.458 ' OG ' ' CG2' ' A' ' 103' ' ' ILE . 1.4 p -136.73 116.72 13.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.884 0.374 . . . . 1.0 111.127 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 21.5 tp -116.64 134.11 55.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.009 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.416 ' C ' ' CG2' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -126.81 156.88 38.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.046 0.451 . . . . 1.0 111.254 -178.609 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.416 ' CG2' ' C ' ' A' ' 153' ' ' VAL . 1.4 t -151.42 76.08 7.73 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 115.727 -0.67 . . . . 1.0 109.963 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_exo -47.57 145.19 9.38 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.972 2.448 . . . . 1.0 112.688 -176.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 28.9 mt -111.86 96.82 6.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.222 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 17.9 ptm -112.58 134.54 54.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.796 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . 0.524 ' CE1' ' CB ' ' A' ' 196' ' ' ALA . 29.3 t60 -112.71 124.16 51.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.425 177.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.406 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 79.5 t60 67.4 -110.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.408 -178.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . 0.401 ' N ' ' CG ' ' A' ' 159' ' ' HIS . 23.5 tt0 -120.11 3.04 10.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.427 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -114.47 163.32 15.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.559 -177.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . 0.429 ' CD1' ' N ' ' A' ' 162' ' ' LEU . 10.5 mp -104.64 122.06 44.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.485 177.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 50.8 m95 -104.97 -41.63 5.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.909 -176.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -143.25 175.15 23.48 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.306 -0.718 . . . . 1.0 111.306 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.6 tp -146.4 134.18 21.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.747 0.308 . . . . 1.0 110.451 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 40.7 tp -104.75 143.17 33.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.618 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . 0.421 HG12 HBB1 ' A' ' 301' ' ' CYC . 13.0 p -148.01 136.71 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.692 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.572 ' O ' ' ND1' ' A' ' 169' ' ' HIS . 2.5 m -123.99 142.51 51.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.358 179.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . 0.572 ' ND1' ' O ' ' A' ' 168' ' ' SER . 12.2 m-70 -142.78 137.69 29.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.723 -179.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -171.22 169.35 6.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.487 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -55.51 -171.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.617 178.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . 0.486 ' O ' ' OE1' ' A' ' 172' ' ' GLU . 0.0 OUTLIER -117.51 79.53 12.29 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.619 179.762 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -83.66 -55.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.856 2.37 . . . . 1.0 112.167 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 11.9 mtp-105 -144.79 153.25 54.0 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.524 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.17 175.17 5.08 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.812 2.341 . . . . 1.0 112.079 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . 0.473 ' CD1' ' O ' ' A' ' 176' ' ' TYR . 30.2 p90 -119.61 133.88 55.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.618 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 53.3 p -83.76 140.63 31.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.58 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -66.53 -36.94 83.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.518 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -60.39 -55.81 29.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.517 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -64.74 -32.68 74.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.459 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 30.4 tp -57.49 -43.4 84.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.409 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -58.04 -49.88 75.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.299 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 64.4 t -43.32 -42.41 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.139 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 187' ' ' LEU . 93.5 t -73.88 -38.76 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.141 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.521 ' CD ' HH21 ' A' ' 101' ' ' ARG . 6.8 tt0 -45.23 -37.68 4.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.078 178.327 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 19.6 tp -72.42 -34.2 67.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.078 177.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 184' ' ' VAL . 6.7 tt -56.01 -34.5 65.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.079 178.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -75.54 -39.61 58.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.156 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -55.06 -41.39 71.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.088 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -54.74 -53.63 52.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.119 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 194' ' ' ALA . 78.4 t -51.28 -44.71 31.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.084 178.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 4.3 t -47.99 -30.33 4.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.078 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . 0.409 HD13 HG21 ' A' ' 193' ' ' ILE . 7.8 mm -80.19 -32.19 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.09 178.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 191' ' ' VAL . . . -71.03 -46.75 61.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.203 -178.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 2.3 pp -67.15 -32.61 58.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.268 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . 0.524 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.65 -56.54 4.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.347 178.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -59.26 -25.67 64.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.337 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -74.4 -37.69 63.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.416 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -51.6 -37.51 50.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.453 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 43.5 tp -57.93 -58.62 7.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.482 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 88.1 p -53.65 -42.38 67.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.529 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 10.7 mp . . . . . 0 C--O 1.219 -0.53 0 CA-C-O 117.983 -1.008 . . . . 1.0 110.603 179.719 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 301' ' ' CYC . . . . . 0.665 HBB2 ' CB ' ' A' ' 54' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.1 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.827 0.346 . . . . 1.0 110.537 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -63.46 -34.6 78.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.568 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -76.87 -56.31 4.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.57 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.474 ' O ' ' CD1' ' A' ' 34' ' ' ILE . 0.2 OUTLIER -56.22 -36.48 46.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.557 -178.381 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.503 ' O ' ' OG1' ' A' ' 38' ' ' THR . 84.1 mt -72.35 -27.18 62.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.661 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.42 ' O ' HG13 ' A' ' 39' ' ' VAL . 59.3 ttt180 -57.76 -34.66 69.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.561 179.186 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.18 -25.07 34.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.628 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.503 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 59.4 p -71.34 -48.18 51.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.656 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.455 ' CG1' ' N ' ' A' ' 40' ' ' GLU . 4.4 p -56.53 -39.41 61.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.664 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.455 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 98.2 mt-10 -70.95 -40.05 72.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.598 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -62.66 -43.98 97.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.502 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 70.1 t -64.2 -49.96 78.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.534 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.537 ' O ' ' N ' ' A' ' 47' ' ' GLY . 5.7 tmm_? -48.81 -44.61 39.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.512 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.04 -40.58 94.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.544 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -72.99 -52.88 12.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.608 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.565 ' O ' ' N ' ' A' ' 48' ' ' THR . 97.9 mt -79.82 -0.59 35.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.576 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.63 20.89 0.03 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 178.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.565 ' N ' ' O ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -72.42 136.67 46.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.899 0.38 . . . . 1.0 110.63 179.491 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.535 ' CG ' ' ND1' ' A' ' 170' ' ' HIS . 58.6 m-20 -54.97 -37.98 67.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.609 -177.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.664 ' NH2' ' H ' ' A' ' 74' ' ' LEU . 67.3 mtt85 -144.66 125.1 13.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.437 . . . . 1.0 111.017 -176.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.9 p -144.25 138.62 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.867 -0.606 . . . . 1.0 109.834 177.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -144.28 163.05 34.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.022 0.439 . . . . 1.0 111.271 -177.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.3 t -107.03 140.53 24.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.77 -0.65 . . . . 1.0 109.83 178.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -123.92 120.42 32.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.893 0.378 . . . . 1.0 111.222 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.532 ' NE ' ' OG1' ' A' ' 63' ' ' THR . 1.5 ppt_? -95.53 164.86 12.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.007 179.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -130.28 145.26 51.74 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.765 -0.374 . . . . 1.0 110.909 -178.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 22.0 t70 -116.01 133.66 22.85 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.298 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -44.04 -31.11 3.69 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.755 2.304 . . . . 1.0 112.044 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -71.69 -9.64 58.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.43 -178.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.96 18.21 27.83 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.8 -0.92 . . . . 1.0 110.8 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.476 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 85.3 m-70 -114.93 139.75 49.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 1.0 110.745 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -134.53 155.94 22.18 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.627 -0.989 . . . . 1.0 110.627 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.532 ' OG1' ' NE ' ' A' ' 55' ' ' ARG . 18.8 p -138.91 159.66 41.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.837 0.351 . . . . 1.0 110.831 -177.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.678 ' CG1' ' H ' ' A' ' 79' ' ' GLY . 11.7 p -101.05 113.74 38.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.156 175.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.3 m -101.41 3.69 10.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.883 -175.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -160.45 148.19 16.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 1.0 110.898 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.544 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 87.9 tt0 -167.67 126.33 1.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.258 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -124.87 133.36 53.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.816 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 49.6 mtm180 -114.35 141.71 47.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.503 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -91.72 -74.87 1.29 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 178.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.24 -120.9 1.21 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.741 -0.944 . . . . 1.0 110.741 178.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -174.06 53.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.797 0.332 . . . . 1.0 110.601 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -90.49 -19.56 23.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.56 176.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.664 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 9.0 mt -130.3 162.73 52.55 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.538 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -81.88 173.16 11.39 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.749 2.3 . . . . 1.0 112.049 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 60.0 p -90.61 139.68 30.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.649 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.507 ' O ' ' C ' ' A' ' 78' ' ' LEU . 31.5 mt -113.47 -18.32 12.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.494 -178.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.544 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 7.8 tp -32.16 135.58 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.524 -177.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.678 ' H ' ' CG1' ' A' ' 64' ' ' VAL . . . 92.82 1.44 67.85 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 -179.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.436 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 3.5 tt -85.78 124.11 31.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.343 . . . . 1.0 110.587 -178.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.426 ' N ' HD23 ' A' ' 80' ' ' LEU . 29.0 m -94.71 122.73 37.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.616 177.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.504 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 11.2 m-85 -97.01 137.67 21.28 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.464 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -78.83 146.21 20.62 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.828 2.352 . . . . 1.0 112.182 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.6 -35.88 73.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.683 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -47.21 -23.17 1.67 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -52.63 -28.41 21.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.367 . . . . 1.0 110.619 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 14.9 pt -137.28 138.51 25.33 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.468 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.45 -94.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.859 2.372 . . . . 1.0 112.234 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -172.89 -25.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.605 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.439 ' OE1' ' OG ' ' A' ' 114' ' ' SER . 20.6 pt-20 -70.1 -41.24 74.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.53 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.469 ' HB3' HBD2 ' A' ' 301' ' ' CYC . . . -62.15 -34.69 76.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.522 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -65.25 -21.44 66.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.602 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.3 mmt85 -57.9 -54.78 43.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.45 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.628 ' O ' ' N ' ' A' ' 98' ' ' ALA . 8.7 mp -47.18 -49.4 22.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.513 178.202 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -64.82 -18.53 65.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.764 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -92.35 -35.24 13.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.672 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 23.1 mt -106.62 -41.36 5.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.177 -177.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.628 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -83.51 -28.01 28.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.432 -177.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.491 ' C ' ' O ' ' A' ' 98' ' ' ALA . 93.1 mt-30 32.68 58.56 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.358 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.3 t -106.02 -46.48 8.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.844 176.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 56.18 55.69 6.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.165 173.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 8.2 p -146.91 128.19 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.634 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.41 ' CG2' ' OG ' ' A' ' 151' ' ' SER . 1.7 mp -112.19 135.01 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.721 178.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -82.65 170.3 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.309 -178.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -50.02 122.66 6.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.416 -0.357 . . . . 1.0 110.443 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 16.8 m -58.7 -10.1 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.552 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -76.35 -33.71 58.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.366 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.13 -13.2 10.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.431 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 49.52 62.91 2.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.73 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.3 p -84.7 136.29 33.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.36 174.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 94.2 mtm-85 -119.58 129.0 54.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.848 -176.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.425 ' OG ' ' N ' ' A' ' 113' ' ' ILE . 1.0 OUTLIER -126.05 171.16 11.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.228 177.546 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.665 ' CG1' ' H ' ' A' ' 114' ' ' SER . 4.7 tt -176.14 -176.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.754 -178.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.665 ' H ' ' CG1' ' A' ' 113' ' ' ILE . 22.9 m -71.66 158.43 36.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.697 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -176.93 69.82 0.23 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.492 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -45.62 137.35 11.88 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.815 2.344 . . . . 1.0 112.222 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -131.83 167.58 19.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.654 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.559 ' O ' ' CG ' ' A' ' 119' ' ' TRP . 95.9 p -114.54 136.06 53.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.651 179.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.559 ' CG ' ' O ' ' A' ' 118' ' ' SER . 33.2 m95 -169.25 -96.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.625 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 121' ' ' LEU . . . 99.45 9.7 49.8 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.437 ' O ' ' O ' ' A' ' 120' ' ' GLY . 77.9 mt -57.11 -156.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.755 0.312 . . . . 1.0 110.605 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 54.2 p -57.63 161.81 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.554 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.66 -39.55 91.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.552 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.459 ' CG ' ' O ' ' A' ' 124' ' ' ARG . 6.5 ptm180 -104.36 81.0 1.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.539 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 35.1 m -64.32 126.48 90.53 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.54 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -43.32 167.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.794 2.33 . . . . 1.0 112.08 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 16.8 tp -43.78 -75.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.628 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 51.54 33.74 33.84 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.862 -0.895 . . . . 1.0 110.862 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.457 ' OE1' ' NH1' ' A' ' 133' ' ' ARG . 46.9 mt-10 -144.72 158.78 52.66 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.892 0.377 . . . . 1.0 110.596 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -46.77 160.99 0.21 Allowed 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.817 2.345 . . . . 1.0 112.16 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 30.4 mt -75.02 5.39 5.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.401 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . 0.633 ' NE2' ' N ' ' A' ' 132' ' ' GLN . 0.0 OUTLIER -133.24 155.44 49.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.477 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.457 ' NH1' ' OE1' ' A' ' 129' ' ' GLU . 3.1 tpm_? -109.08 103.61 52.75 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.688 -179.418 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -80.57 143.66 15.3 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.775 2.316 . . . . 1.0 111.982 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 1.9 t -130.55 138.82 52.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.506 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.441 ' HB2' HAD2 ' A' ' 301' ' ' CYC . 0.9 OUTLIER -41.26 153.47 0.24 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.429 -179.745 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -50.07 -24.34 10.83 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.797 2.332 . . . . 1.0 111.953 -178.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -53.73 -51.06 64.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.482 178.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.468 ' NE2' ' CD1' ' A' ' 143' ' ' LEU . 0.1 OUTLIER -70.54 -37.05 74.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.281 -179.259 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 48.9 t -52.01 -64.36 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.473 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -61.76 -39.81 92.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.447 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . 0.479 ' CZ ' ' CE ' ' A' ' 146' ' ' MET . 60.5 t80 -44.97 -45.18 10.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.416 179.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.468 ' CD1' ' NE2' ' A' ' 139' ' ' HIS . 88.1 mt -69.37 -50.75 43.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.407 178.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -54.35 -40.84 68.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.439 -178.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 29.2 t -55.4 -25.2 34.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.479 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.479 ' CE ' ' CZ ' ' A' ' 142' ' ' TYR . 29.0 mtt -93.15 -0.71 56.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.457 177.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 68.82 25.25 75.33 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.862 -0.895 . . . . 1.0 110.862 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.478 ' O ' ' CG2' ' A' ' 148' ' ' VAL . 5.3 m -111.37 119.12 59.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.755 0.312 . . . . 1.0 110.697 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -81.6 -27.53 34.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.215 -179.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 34.5 t -106.8 146.46 30.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.116 -178.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.41 ' OG ' ' CG2' ' A' ' 103' ' ' ILE . 2.5 p -147.03 111.86 5.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.897 0.379 . . . . 1.0 111.161 179.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 43.1 tp -108.53 133.17 53.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.0 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.406 ' CG2' ' N ' ' A' ' 154' ' ' VAL . 1.5 p -129.54 152.08 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.083 0.468 . . . . 1.0 111.207 -178.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.406 ' N ' ' CG2' ' A' ' 153' ' ' VAL . 69.3 t -157.1 89.15 2.57 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.703 -0.681 . . . . 1.0 109.941 -177.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -55.47 153.17 29.76 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.967 2.445 . . . . 1.0 112.66 -176.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 31.0 mt -109.13 97.92 7.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.263 177.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 59.7 mtp -106.88 124.02 49.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.786 -176.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . 0.579 ' CE1' ' CB ' ' A' ' 196' ' ' ALA . 22.1 t60 -114.6 120.11 39.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.401 176.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.494 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 38.9 t-80 77.35 -114.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.336 -176.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -122.21 2.78 9.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.417 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -117.18 168.13 10.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.526 -178.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 6.3 tt -104.01 123.59 47.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.433 178.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . 0.526 ' CE3' ' OE2' ' A' ' 199' ' ' GLU . 50.9 m95 -104.96 -38.78 6.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.835 -176.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -141.21 174.42 22.83 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.243 -0.743 . . . . 1.0 111.243 -178.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.4 tp -143.25 130.98 21.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.714 0.292 . . . . 1.0 110.423 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 12.5 tp -104.75 138.69 40.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.626 178.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 70.8 t -150.67 132.29 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.691 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.454 ' O ' ' ND1' ' A' ' 169' ' ' HIS . 4.9 m -118.79 146.05 45.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.397 178.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . 0.454 ' ND1' ' O ' ' A' ' 168' ' ' SER . 20.2 m-70 -138.61 136.43 35.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.748 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . 0.709 ' CD2' ' N ' ' A' ' 171' ' ' ALA . 43.7 t60 -170.47 168.57 7.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.443 -178.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.709 ' N ' ' CD2' ' A' ' 170' ' ' HIS . . . -54.96 -167.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.561 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -114.2 94.42 34.92 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.592 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . 0.425 ' HG2' ' H ' ' A' ' 174' ' ' ARG . 94.1 Cg_endo -85.5 -65.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.851 2.368 . . . . 1.0 112.098 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.425 ' H ' ' HG2' ' A' ' 173' ' ' PRO . 89.0 mtt180 -151.39 153.52 32.48 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.548 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -49.43 170.97 0.08 OUTLIER 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.759 2.306 . . . . 1.0 112.106 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 176' ' ' TYR . 16.2 p90 -117.13 139.11 51.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.645 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 25.9 t -95.39 141.2 29.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.529 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -63.58 -32.66 74.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.519 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.09 -50.12 73.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.479 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -68.51 -31.3 70.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.436 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 32.0 tp -58.44 -35.35 71.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.436 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -68.26 -50.54 53.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.372 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 54.3 t -43.02 -50.13 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.135 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 5.0 p -74.52 -36.51 41.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.237 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -47.73 -40.34 20.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.056 178.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 14.4 tp -73.51 -33.87 64.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.069 178.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 6.7 tt -56.58 -32.73 65.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.069 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -73.63 -38.51 65.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.067 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -58.67 -40.31 83.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.183 179.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . 0.44 ' O ' HG21 ' A' ' 193' ' ' ILE . 62.7 tt0 -53.9 -56.66 15.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.14 179.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 194' ' ' ALA . 88.3 t -52.43 -41.79 36.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.144 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 1.7 m -47.25 -28.7 2.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.093 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . 0.469 HG21 ' N ' ' A' ' 194' ' ' ALA . 3.3 tt -79.98 -32.61 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.138 179.065 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 191' ' ' VAL . . . -72.43 -47.33 49.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.163 -179.311 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . 0.402 ' CG2' ' N ' ' A' ' 196' ' ' ALA . 3.4 tp -62.57 -39.07 83.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.233 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . 0.579 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.27 -54.64 6.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.35 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . 0.417 ' O ' ' NE2' ' A' ' 197' ' ' GLN . 15.2 tm0? -56.7 -25.27 53.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.345 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -74.15 -37.81 63.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.48 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . 0.526 ' OE2' ' CE3' ' A' ' 163' ' ' TRP . 94.5 mt-10 -51.87 -38.47 56.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.408 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 28.9 tp -52.37 -67.05 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.465 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 19.3 m -66.38 -50.23 64.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.583 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 46.2 mt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.059 -0.972 . . . . 1.0 110.565 179.935 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 301' ' ' CYC . . . . . 0.469 HBD2 ' HB3' ' A' ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.523 ' CD2' HH12 ' A' ' 55' ' ' ARG . 12.0 tp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.788 0.328 . . . . 1.0 110.542 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.7 p-10 -64.42 -32.18 73.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.565 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -76.87 -50.66 12.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.526 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.486 ' O ' ' CD1' ' A' ' 34' ' ' ILE . 0.3 OUTLIER -62.35 -29.33 46.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.557 -179.203 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.665 ' O ' HG22 ' A' ' 38' ' ' THR . 76.6 mt -80.29 -19.36 46.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.644 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.445 ' O ' HG11 ' A' ' 39' ' ' VAL . 53.1 ttm-85 -73.66 -34.87 65.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.539 179.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.3 -25.33 29.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.592 -178.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.665 HG22 ' O ' ' A' ' 35' ' ' LEU . 2.7 t -71.73 -43.0 66.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.6 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.533 ' N ' ' CG2' ' A' ' 38' ' ' THR . 4.1 p -56.3 -38.01 53.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.686 178.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.436 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 98.8 mt-10 -75.22 -34.48 61.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.607 179.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -66.08 -52.53 47.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.519 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.41 ' CG1' ' N ' ' A' ' 43' ' ' ARG . 10.1 p -61.71 -44.98 99.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.541 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.534 ' O ' ' N ' ' A' ' 47' ' ' GLY . 4.7 tmm_? -49.63 -42.94 46.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.555 179.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.54 -36.77 81.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.529 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -77.22 -50.25 13.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.549 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' A' ' 48' ' ' THR . 9.9 mp -78.86 -3.77 46.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.53 178.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.88 20.37 0.03 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.984 -0.846 . . . . 1.0 110.984 178.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.554 ' N ' ' O ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -71.88 136.0 46.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.77 0.319 . . . . 1.0 110.613 179.469 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' A' ' 70' ' ' GLY . 52.5 m-20 -55.33 -39.86 70.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.587 -177.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.622 HH12 ' HZ2' ' A' ' 52' ' ' LYS . 68.5 ttp85 -140.45 124.13 17.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.028 0.442 . . . . 1.0 111.025 -176.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.7 p -145.3 136.68 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.861 -0.609 . . . . 1.0 109.841 176.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.622 ' HZ2' HH12 ' A' ' 50' ' ' ARG . 23.8 pttm -145.52 163.79 33.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.042 0.449 . . . . 1.0 111.236 -177.253 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.2 p -108.23 138.68 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.669 -0.696 . . . . 1.0 109.828 178.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.486 ' HB2' HBB1 ' A' ' 301' ' ' CYC . 18.7 t80 -119.9 119.76 34.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.904 0.383 . . . . 1.0 111.222 -178.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.523 HH12 ' CD2' ' A' ' 31' ' ' LEU . 26.8 mmm-85 -93.63 162.56 13.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.966 -0.561 . . . . 1.0 109.899 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -131.66 145.72 51.81 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.744 -0.383 . . . . 1.0 110.944 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 61' ' ' HIS . 10.8 m-20 -117.78 136.27 23.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.298 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -45.17 -29.11 3.92 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.728 2.286 . . . . 1.0 112.065 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -74.2 -7.39 52.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.371 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.73 19.75 28.5 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.825 -0.91 . . . . 1.0 110.825 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.511 ' O ' ' N ' ' A' ' 57' ' ' ASP . 92.5 m-70 -116.05 140.01 49.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 1.0 110.715 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.435 ' O ' ' OG1' ' A' ' 81' ' ' THR . . . -135.45 157.3 23.13 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.644 -0.983 . . . . 1.0 110.644 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 70.9 p -140.03 159.03 43.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 1.0 110.738 -178.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.3 t -100.98 113.95 38.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.231 176.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 23.3 m -102.05 3.43 10.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.88 -176.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -158.72 146.01 17.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.938 0.399 . . . . 1.0 110.913 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.532 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 88.7 tt0 -167.27 126.11 1.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.279 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -122.87 130.48 52.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.803 178.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.455 ' HA ' ' O ' ' A' ' 49' ' ' ASP . 79.1 mtm180 -109.82 141.04 43.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.462 -179.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -91.77 -103.54 1.4 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.24 1.23 6.83 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.771 -0.932 . . . . 1.0 110.771 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.429 ' H ' ' C ' ' A' ' 70' ' ' GLY . 92.3 mt-10 58.52 62.57 1.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.785 0.326 . . . . 1.0 110.536 179.434 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.499 ' NH2' ' O ' ' A' ' 147' ' ' GLY . 5.6 ptm180 -86.52 -52.22 5.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.518 178.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.454 ' H ' ' HG3' ' A' ' 73' ' ' ARG . 14.3 mt -99.69 146.31 31.62 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.545 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -54.68 173.99 0.22 Allowed 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.678 2.252 . . . . 1.0 112.087 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.6 p -88.33 129.41 35.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.711 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.485 ' O ' ' C ' ' A' ' 78' ' ' LEU . 28.0 mt -103.62 -19.55 14.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.433 -178.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.532 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 22.5 tp -33.56 136.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.513 -177.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.87 0.37 66.4 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.854 -0.898 . . . . 1.0 110.854 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 mt -88.96 126.0 35.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.719 0.295 . . . . 1.0 110.571 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.435 ' OG1' ' O ' ' A' ' 62' ' ' GLY . 8.8 t -100.1 128.82 46.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.619 177.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.502 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 8.3 m-85 -105.39 143.73 27.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.503 -179.055 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -78.86 147.64 21.65 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.875 2.383 . . . . 1.0 112.141 178.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.73 -35.7 68.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.604 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.08 -23.83 4.14 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -55.24 -31.79 61.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.838 0.351 . . . . 1.0 110.55 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 24.8 mt -125.29 131.5 24.08 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.542 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.91 -103.46 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.836 2.357 . . . . 1.0 112.159 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -164.43 -54.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.566 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.448 ' OE1' ' OG ' ' A' ' 114' ' ' SER . 23.0 pt-20 -46.46 -37.68 8.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.571 -179.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.06 -48.64 57.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.553 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 57.0 ttt180 -56.4 -22.74 33.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.553 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 68.8 mtp85 -67.41 -48.57 66.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.471 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 98' ' ' ALA . 23.4 mt -46.35 -54.08 9.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.478 -178.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -60.24 -26.1 66.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.743 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -86.0 -20.53 28.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.733 179.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.8 mp -105.47 -48.91 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.255 -178.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -95.67 -16.64 21.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.47 -175.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.488 ' C ' ' O ' ' A' ' 98' ' ' ALA . 89.1 mt-30 34.51 63.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.355 178.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.457 ' CG2' ' N ' ' A' ' 101' ' ' ARG . 26.4 m -113.18 -48.19 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.811 176.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.457 ' N ' ' CG2' ' A' ' 100' ' ' VAL . 1.3 mtt180 58.38 63.99 1.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.24 174.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.19 123.08 14.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.606 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.4 HG22 HD12 ' A' ' 103' ' ' ILE . 97.1 mt -110.57 130.14 64.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.723 178.206 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.5 m -81.56 169.17 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.306 -177.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.418 ' C ' ' H ' ' A' ' 107' ' ' GLU . 83.9 m-20 -51.96 123.2 9.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.427 -178.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 26.4 m -57.67 -8.69 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.518 178.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.418 ' H ' ' C ' ' A' ' 105' ' ' ASP . 1.9 pp20? -75.53 -33.84 60.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.36 179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.42 -15.87 51.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.389 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 50.31 59.99 4.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.673 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.2 m -88.02 140.12 29.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.399 175.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -121.11 131.58 54.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.85 -177.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.1 t -136.47 115.18 12.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.201 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 26.9 pt -120.88 -166.34 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.741 -178.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.448 ' OG ' ' OE1' ' A' ' 90' ' ' GLU . 25.8 m -77.73 173.96 11.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.653 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -148.05 149.57 32.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.458 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.24 -37.86 9.78 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.832 2.354 . . . . 1.0 112.207 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.423 ' O ' ' OG ' ' A' ' 118' ' ' SER . 95.2 mt-10 -143.37 130.48 20.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.614 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 117' ' ' GLU . 58.0 m -170.04 -117.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.597 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 11.5 m-90 -72.19 144.56 48.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.558 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -153.29 -104.98 0.26 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.919 -0.872 . . . . 1.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 38.2 mt -87.14 134.94 33.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.785 0.326 . . . . 1.0 110.536 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 83.9 p -154.23 157.79 39.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.54 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' A' ' 124' ' ' ARG . . . -80.36 -63.5 1.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.58 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.445 ' HB2' ' O ' ' A' ' 123' ' ' ALA . 57.5 ttm-85 177.25 75.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.577 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 8.9 p -98.54 113.56 64.37 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.564 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -81.31 128.34 6.25 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.781 2.321 . . . . 1.0 112.124 178.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.433 ' O ' ' OE2' ' A' ' 129' ' ' GLU . 6.9 tp 60.61 -121.3 0.9 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.572 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.412 ' H ' ' CG ' ' A' ' 127' ' ' LEU . . . 76.51 -0.51 64.38 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 179.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -113.19 173.78 2.67 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.954 0.407 . . . . 1.0 110.544 179.858 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.4 ' CD ' ' CB ' ' A' ' 129' ' ' GLU . 61.1 Cg_exo -50.13 159.24 1.92 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.889 2.393 . . . . 1.0 112.164 -179.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.486 ' CD1' ' N ' ' A' ' 131' ' ' LEU . 8.7 mp -70.27 -10.02 57.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.465 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -131.77 170.3 15.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.447 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.94 119.82 12.77 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.632 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.85 144.14 18.96 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.716 2.277 . . . . 1.0 112.025 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.533 ' CG2' ' CD2' ' A' ' 139' ' ' HIS . 0.0 OUTLIER -126.96 134.66 65.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.526 -179.758 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.659 ' OD1' HBD2 ' A' ' 301' ' ' CYC . 1.1 p30 -45.72 155.33 0.49 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.463 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -49.57 -12.02 0.3 Allowed 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.855 2.37 . . . . 1.0 111.91 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.462 ' SG ' ' CHD' ' A' ' 301' ' ' CYC . 0.1 OUTLIER -57.98 -41.97 84.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.428 179.407 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.533 ' CD2' ' CG2' ' A' ' 135' ' ' VAL . 0.2 OUTLIER -82.38 -28.1 31.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.271 -178.799 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 40.7 t -51.61 -63.57 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.517 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -64.52 -43.56 93.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.456 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -47.27 -54.14 11.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.484 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.453 ' CD1' ' ND1' ' A' ' 139' ' ' HIS . 96.9 mt -66.82 -52.12 47.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.437 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 44.2 tptt -53.52 -40.96 65.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.413 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.9 t -53.96 -24.26 15.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.527 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 49.4 mtt -93.24 -1.69 55.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.395 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.499 ' O ' ' NH2' ' A' ' 73' ' ' ARG . . . 71.51 25.97 74.15 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 179.171 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.518 ' CG1' ' O ' ' A' ' 148' ' ' VAL . 5.0 p -110.44 120.38 61.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.775 0.322 . . . . 1.0 110.701 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -84.16 -33.26 24.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.264 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 26.7 t -106.79 146.7 30.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.146 -178.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 2.0 t -148.41 119.34 7.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.917 0.389 . . . . 1.0 111.054 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 52.5 tp -112.45 117.7 33.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.98 -0.554 . . . . 1.0 109.999 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.417 ' CG2' ' N ' ' A' ' 154' ' ' VAL . 2.0 p -100.64 153.02 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.036 0.446 . . . . 1.0 111.202 -178.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.548 ' O ' ' HB3' ' A' ' 166' ' ' LEU . 43.8 t -155.3 100.42 2.28 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 115.714 -0.676 . . . . 1.0 109.983 -178.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -78.37 151.04 25.84 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.944 2.429 . . . . 1.0 112.693 -178.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 38.7 mt -117.41 97.53 5.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.2 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 21.8 ptm -115.81 137.18 52.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.756 -178.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . 0.44 ' O ' ' HB3' ' A' ' 159' ' ' HIS . 45.8 t60 -113.78 122.92 48.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.405 177.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.44 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 78.3 t60 69.25 -109.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.376 -178.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -120.27 2.27 10.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.423 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -115.35 157.18 24.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.578 -176.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 14.6 tp -104.8 123.59 47.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.422 177.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . 0.417 ' CH2' ' OE2' ' A' ' 199' ' ' GLU . 98.9 m95 -102.45 -38.68 7.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.837 -177.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -148.26 178.92 25.53 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.216 -0.754 . . . . 1.0 111.216 -178.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 54' ' ' TYR . 2.1 tp -143.92 130.63 20.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.741 0.305 . . . . 1.0 110.425 -179.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.548 ' HB3' ' O ' ' A' ' 154' ' ' VAL . 4.3 tp -106.98 145.79 31.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.601 178.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 46.6 t -153.78 139.28 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.721 -177.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 16.4 m -120.2 141.08 50.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.362 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -135.5 137.6 42.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.772 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . 0.765 ' CD2' ' N ' ' A' ' 171' ' ' ALA . 24.8 t60 -170.84 166.13 7.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.509 -178.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.765 ' N ' ' CD2' ' A' ' 170' ' ' HIS . . . -51.97 -165.73 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.597 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -114.5 92.37 28.14 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.58 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -86.58 -62.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.859 2.373 . . . . 1.0 112.095 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 59.4 mtm-85 -147.41 153.91 44.64 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.496 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -49.03 177.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.785 2.323 . . . . 1.0 112.036 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -82.23 115.19 21.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.663 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 31.1 t -76.95 122.62 25.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.529 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -65.9 -30.9 71.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.534 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -64.44 -57.27 9.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.456 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.29 -29.45 67.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.454 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 17.3 tp -47.31 -58.2 4.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.376 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -60.71 -52.08 66.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.309 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 59.8 t -43.44 -48.52 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.189 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 86.6 t -74.98 -35.85 36.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.2 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -49.17 -41.59 37.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.094 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 53.0 mt -73.09 -33.71 65.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.042 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 20.0 tp -57.11 -31.21 65.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.084 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -72.6 -39.84 67.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.125 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -57.0 -40.09 75.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.152 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . 0.4 ' O ' ' OE1' ' A' ' 190' ' ' GLN . 0.7 OUTLIER -53.49 -55.4 25.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.173 179.709 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 81.9 t -56.25 -42.2 72.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.118 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 6.9 t -49.15 -34.47 14.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.056 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.6 mp -79.76 -33.06 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.148 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -70.27 -47.64 60.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.259 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 18.8 tt -63.96 -33.2 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.291 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . 0.439 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.5 -54.44 7.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.392 179.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -58.75 -26.22 63.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.358 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -74.95 -36.5 62.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.496 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . 0.417 ' OE2' ' CH2' ' A' ' 163' ' ' TRP . 84.8 tt0 -55.61 -39.0 70.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.456 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 39.2 tp -63.6 -59.01 5.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.486 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 23.2 t -59.33 -45.8 90.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.495 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 13.9 tp . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.949 -1.024 . . . . 1.0 110.567 179.817 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 301' ' ' CYC . . . . . 0.659 HBD2 ' OD1' ' A' ' 136' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.6 tp . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.776 0.322 . . . . 1.0 110.521 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -57.37 -32.88 67.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.534 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -76.49 -49.48 16.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.519 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.542 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.4 mp -62.07 -32.96 56.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.589 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.48 ' O ' HG21 ' A' ' 38' ' ' THR . 92.0 mt -78.73 -20.04 50.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.637 -179.264 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.444 ' O ' HG13 ' A' ' 39' ' ' VAL . 69.9 ttt180 -74.35 -34.11 63.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.563 178.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.59 -33.75 23.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.565 -178.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.556 ' CG2' ' N ' ' A' ' 39' ' ' VAL . 2.7 t -66.33 -44.85 82.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.588 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.556 ' N ' ' CG2' ' A' ' 38' ' ' THR . 4.6 p -56.31 -36.41 46.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.593 178.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -70.58 -39.12 74.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.602 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -63.2 -51.14 67.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.544 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.0 t -56.93 -51.5 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.527 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.549 ' O ' ' N ' ' A' ' 47' ' ' GLY . 30.7 ttp180 -47.16 -43.17 20.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.577 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.72 -37.58 82.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.458 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -76.18 -51.46 12.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.568 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.538 ' O ' ' N ' ' A' ' 48' ' ' THR . 18.2 mt -79.56 -1.11 36.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.587 179.276 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 41.44 21.44 0.06 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 178.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.538 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.2 m -74.5 137.39 42.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.841 0.353 . . . . 1.0 110.537 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.404 ' O ' ' HA ' ' A' ' 69' ' ' ARG . 76.1 m-20 -69.34 -20.19 63.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.624 -176.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.549 ' NH2' ' SD ' ' A' ' 146' ' ' MET . 62.6 ttp180 -148.76 119.07 7.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.018 0.437 . . . . 1.0 111.017 -178.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.5 p -147.0 135.3 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.828 -0.624 . . . . 1.0 109.87 176.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.5 pttt -144.54 153.92 42.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.022 0.439 . . . . 1.0 111.258 -177.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.7 p -96.66 136.7 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.668 -0.696 . . . . 1.0 109.889 177.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.532 ' HB2' HBB3 ' A' ' 301' ' ' CYC . 18.1 t80 -120.3 119.89 34.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.935 0.398 . . . . 1.0 111.257 -177.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -95.53 164.31 12.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.988 -0.551 . . . . 1.0 109.89 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -131.3 144.51 51.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.994 0.426 . . . . 1.0 110.827 -178.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 61' ' ' HIS . 17.6 m-20 -115.55 135.05 22.57 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.319 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -45.22 -28.38 3.55 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.712 2.275 . . . . 1.0 112.03 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -75.11 -6.68 50.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.437 -178.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.31 18.99 31.62 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.787 -0.925 . . . . 1.0 110.787 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.479 ' O ' ' N ' ' A' ' 57' ' ' ASP . 76.0 m80 -114.29 139.11 49.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.914 0.387 . . . . 1.0 110.646 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.407 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -132.24 153.55 20.62 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.652 -0.979 . . . . 1.0 110.652 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 63.9 p -138.99 158.73 43.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.771 0.32 . . . . 1.0 110.813 -178.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.6 t -102.44 116.79 46.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.238 175.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.3 m -106.44 2.65 10.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.809 -175.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -157.43 146.43 19.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.887 0.375 . . . . 1.0 110.915 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 87.3 tt0 -169.64 127.99 0.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.29 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.65 151.44 51.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.765 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.548 ' O ' ' NH1' ' A' ' 43' ' ' ARG . 0.6 OUTLIER -137.38 145.87 43.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.441 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -93.18 23.71 28.37 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 177.07 -114.02 0.45 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.786 -0.926 . . . . 1.0 110.786 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -178.17 38.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.875 0.369 . . . . 1.0 110.619 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -75.36 -57.46 3.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.458 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 30.5 mt -91.65 146.5 33.26 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.541 177.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -68.44 166.68 24.76 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.793 2.329 . . . . 1.0 112.06 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 57.5 p -92.47 138.61 31.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.68 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.0 mt -114.12 -10.15 12.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.467 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.404 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 22.8 tp -41.41 137.35 1.51 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.561 -178.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.0 -0.18 72.31 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.8 tp -94.3 130.21 40.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.327 . . . . 1.0 110.553 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.8 p -99.89 130.34 46.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.585 178.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.469 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 13.9 m-85 -103.71 147.08 33.7 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.526 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -78.98 145.45 19.63 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.811 2.341 . . . . 1.0 112.159 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.6 -38.24 80.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.654 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.74 -21.43 4.9 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.404 ' OD1' ' NC ' ' A' ' 301' ' ' CYC . 41.0 t0 -61.38 -29.72 70.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 1.0 110.601 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.542 ' O ' ' O ' ' A' ' 88' ' ' PRO . 44.5 mm -112.77 99.11 47.08 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.472 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.542 ' O ' ' O ' ' A' ' 87' ' ' ILE . 76.2 Cg_exo -47.93 -122.61 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.807 2.338 . . . . 1.0 112.214 178.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -154.18 -47.95 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.573 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -60.24 -38.42 83.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.544 -178.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.98 -39.42 79.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.573 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.537 HH21 ' CG2' ' A' ' 87' ' ' ILE . 29.9 ttm180 -68.74 -23.83 64.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.562 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' ' 97' ' ' LEU . 27.1 mmt180 -59.84 -54.16 49.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.531 -178.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' A' ' 98' ' ' ALA . 23.4 mt -51.03 -38.58 52.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.472 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.428 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 7.9 m-85 -67.0 -35.4 79.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.742 178.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 73.5 mtm-85 -87.29 -17.2 33.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.716 178.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 93' ' ' ARG . 5.8 tp -101.37 -49.07 4.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.248 -177.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -102.78 -13.0 17.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.416 -176.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.501 ' C ' ' O ' ' A' ' 98' ' ' ALA . 90.5 mt-30 33.78 64.89 0.32 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.394 178.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.57 ' CG1' ' N ' ' A' ' 101' ' ' ARG . 9.9 p -98.91 -50.63 10.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.827 177.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.57 ' N ' ' CG1' ' A' ' 100' ' ' VAL . 1.5 mtm105 62.22 52.89 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.302 172.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.437 HG11 ' O ' ' A' ' 100' ' ' VAL . 13.1 m -148.75 126.91 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.66 178.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.471 ' CD1' ' N ' ' A' ' 103' ' ' ILE . 1.9 mp -108.92 134.68 50.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.741 177.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.481 ' CG2' ' N ' ' A' ' 105' ' ' ASP . 12.5 p -80.35 169.22 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.282 -177.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.481 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 3.5 m-20 -47.64 120.63 3.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.466 -178.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.7 p -59.67 -14.31 6.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.495 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.403 ' C ' ' H ' ' A' ' 109' ' ' GLN . 3.8 pt-20 -80.0 -31.55 39.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.302 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.66 -10.92 1.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.356 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.729 HE21 HH21 ' A' ' 111' ' ' ARG . 54.3 tt0 50.8 62.59 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.648 179.049 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.44 135.13 33.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.357 174.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.729 HH21 HE21 ' A' ' 109' ' ' GLN . 98.1 mtt180 -117.62 127.96 54.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.825 -176.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.453 ' O ' ' CG2' ' A' ' 113' ' ' ILE . 11.0 t -117.06 157.2 26.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.244 176.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.453 ' CG2' ' O ' ' A' ' 112' ' ' SER . 18.7 pt -159.13 166.95 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.835 -178.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 60.5 p -74.94 173.88 10.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.761 178.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.551 ' O ' ' N ' ' A' ' 117' ' ' GLU . 33.9 tp60 -169.86 80.68 0.63 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.444 -179.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -41.95 83.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.807 0 C-N-CA 122.863 2.376 . . . . 1.0 112.235 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.551 ' N ' ' O ' ' A' ' 115' ' ' GLN . 85.1 tt0 -167.04 152.26 7.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.595 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.536 ' O ' ' N ' ' A' ' 120' ' ' GLY . 66.6 m -42.78 -98.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.613 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.544 ' CG ' ' O ' ' A' ' 119' ' ' TRP . 75.1 t-105 39.05 24.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.546 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' A' ' 118' ' ' SER . . . -143.92 -18.75 0.21 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 36.4 tp -90.53 119.42 30.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.836 0.35 . . . . 1.0 110.619 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 66.9 p -158.4 164.91 35.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.551 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.426 ' O ' ' HB2' ' A' ' 124' ' ' ARG . . . -67.93 -63.47 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.609 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.426 ' HB2' ' O ' ' A' ' 123' ' ' ALA . 78.9 ttt180 177.41 82.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.532 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.73 93.08 42.99 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.503 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -52.79 136.9 59.96 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.771 2.314 . . . . 1.0 112.09 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.435 ' O ' ' OE2' ' A' ' 129' ' ' GLU . 17.8 mt 61.29 -139.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.565 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 91.77 3.32 68.59 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -115.5 171.15 4.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 1.0 110.602 179.562 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.472 ' O ' ' NH2' ' A' ' 133' ' ' ARG . 78.5 Cg_exo -48.76 162.06 0.42 Allowed 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.871 2.38 . . . . 1.0 112.122 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 32.2 mt -70.91 -4.2 23.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.417 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -133.57 168.92 17.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.445 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.477 ' HE ' ' HA ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -131.7 87.33 46.0 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.628 -179.103 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_exo -49.28 141.48 24.11 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.827 2.351 . . . . 1.0 111.947 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 12.2 m -125.96 135.17 64.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.508 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 112' ' ' SER . 1.5 m-20 -43.5 151.31 0.47 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.454 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -46.77 -16.24 0.26 Allowed 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.891 2.394 . . . . 1.0 111.918 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.44 ' SG ' ' CHD' ' A' ' 301' ' ' CYC . 0.5 OUTLIER -58.54 -47.83 82.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.453 178.488 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.507 ' CE1' ' CD1' ' A' ' 143' ' ' LEU . 15.5 t-80 -77.15 -30.17 54.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.262 -178.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 53.8 t -50.59 -65.92 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.519 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -60.26 -39.32 86.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.457 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -46.72 -49.91 18.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.478 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.507 ' CD1' ' CE1' ' A' ' 139' ' ' HIS . 88.2 mt -67.58 -51.44 50.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.386 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -57.65 -40.66 79.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.46 -178.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 24.3 t -55.89 -28.54 57.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.459 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.549 ' SD ' ' NH2' ' A' ' 50' ' ' ARG . 28.6 mtt -91.07 -0.16 57.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.435 177.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 68.85 24.89 75.55 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 170' ' ' HIS . 4.9 t -108.62 123.02 64.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.754 0.312 . . . . 1.0 110.639 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -83.36 -36.75 24.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.289 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 49.5 m -103.83 149.96 24.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.069 -177.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.3 p -145.07 109.13 4.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.915 0.388 . . . . 1.0 111.104 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 49.3 tp -105.07 134.31 48.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.015 178.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 9.9 p -129.13 153.28 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.063 0.459 . . . . 1.0 111.222 -178.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.403 ' O ' ' HB3' ' A' ' 166' ' ' LEU . 88.1 t -153.67 81.42 4.86 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 115.673 -0.694 . . . . 1.0 109.909 -178.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -52.49 151.14 19.14 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.932 2.422 . . . . 1.0 112.686 -177.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 29.4 mt -116.57 96.82 5.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.209 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 17.7 ptm -110.42 135.88 50.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.796 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . 0.624 ' CD2' ' CE1' ' A' ' 159' ' ' HIS . 20.1 t60 -113.36 125.28 54.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.354 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.624 ' CE1' ' CD2' ' A' ' 158' ' ' HIS . 4.4 m-70 64.72 -110.58 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.352 -178.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -119.22 2.06 11.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.425 -179.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -115.01 165.26 13.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.617 -177.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 12.2 tp -105.35 119.84 40.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.421 177.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . 0.406 ' CD1' ' N ' ' A' ' 163' ' ' TRP . 32.8 m95 -103.0 -41.8 6.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.863 -177.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -141.9 173.77 23.46 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.2 -0.76 . . . . 1.0 111.2 -178.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 3.9 tp -145.61 129.97 17.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.79 0.329 . . . . 1.0 110.405 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.403 ' HB3' ' O ' ' A' ' 154' ' ' VAL . 21.4 tp -103.33 146.66 28.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.617 178.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . 0.405 HG11 HBB2 ' A' ' 301' ' ' CYC . 14.7 p -150.96 139.0 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.772 -179.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.6 143.27 50.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.381 178.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . 0.575 ' ND1' ' N ' ' A' ' 169' ' ' HIS . 0.0 OUTLIER -138.7 132.91 31.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.824 -179.659 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . 0.743 ' CD2' ' H ' ' A' ' 171' ' ' ALA . 17.3 t-80 -170.69 168.8 7.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.443 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.743 ' H ' ' CD2' ' A' ' 170' ' ' HIS . . . -52.1 -163.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.599 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -115.62 82.85 10.5 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.589 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -86.24 71.55 4.08 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.849 2.366 . . . . 1.0 112.118 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 53.1 mtt-85 63.49 150.7 0.11 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.491 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -48.35 169.94 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.791 2.328 . . . . 1.0 112.029 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -113.0 148.94 34.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.591 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 69.4 p -95.18 138.83 32.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.525 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -68.27 -31.4 70.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.598 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -60.22 -46.72 88.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.482 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -70.53 -29.7 66.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.465 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 31.7 tp -61.2 -31.9 71.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.428 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -70.68 -53.7 14.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.335 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 59.4 t -42.6 -47.84 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.145 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 187' ' ' LEU . 27.1 m -75.41 -35.49 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.192 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.551 ' OE1' ' NH1' ' A' ' 101' ' ' ARG . 51.0 tp60 -46.74 -39.03 10.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.076 178.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 11.0 mp -72.83 -34.7 67.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.073 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 184' ' ' VAL . 25.7 tp -55.99 -34.52 65.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.123 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -75.78 -36.92 59.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.098 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -54.92 -39.89 69.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.146 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -53.57 -51.4 63.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.163 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 84.4 t -54.24 -42.57 57.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.009 -0.542 . . . . 1.0 110.189 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 4.8 t -49.5 -36.37 22.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.093 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.7 mp -80.7 -31.66 12.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.165 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -69.77 -47.43 62.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.303 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 2.2 pp -65.52 -33.51 64.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.238 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . 0.482 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.77 -55.51 5.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.356 178.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -57.18 -25.61 59.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.342 178.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -75.01 -35.77 61.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.455 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -53.54 -39.47 64.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.417 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 42.9 tp -56.26 -63.64 1.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.499 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 85.6 p -62.47 -46.88 86.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.504 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 14.2 tp . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.029 -0.986 . . . . 1.0 110.491 179.774 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 301' ' ' CYC . . . . . 0.532 HBB3 ' HB2' ' A' ' 54' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.2 tp . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.827 0.346 . . . . 1.0 110.553 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -67.43 -31.75 72.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.555 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -76.85 -53.57 7.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.556 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.3 tp -59.58 -30.18 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.577 -178.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.645 ' CD1' HH22 ' A' ' 55' ' ' ARG . 76.6 mt -76.42 -26.01 55.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.617 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.464 ' O ' HG12 ' A' ' 39' ' ' VAL . 38.6 ttp180 -61.83 -37.02 82.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.559 179.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.81 -26.09 37.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.605 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 72.3 p -68.97 -47.14 66.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.623 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' A' ' 51' ' ' VAL . 3.8 p -55.16 -38.78 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.656 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.455 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 97.5 mt-10 -75.39 -40.06 58.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.574 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -64.7 -51.16 63.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.513 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.2 t -61.52 -53.61 46.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.529 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 47' ' ' GLY . 2.2 tmm_? -47.39 -39.35 15.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.59 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.98 -36.64 77.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.577 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -76.71 -47.66 21.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.6 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.569 ' O ' ' N ' ' A' ' 48' ' ' THR . 9.5 mp -77.82 -2.53 36.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.533 177.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.83 19.56 0.02 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.569 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.5 m -72.39 138.33 47.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.807 0.337 . . . . 1.0 110.595 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.606 ' CB ' ' HE ' ' A' ' 73' ' ' ARG . 77.3 m-20 -54.6 -40.39 68.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.642 -177.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.462 ' HA ' ' O ' ' A' ' 68' ' ' ALA . 49.7 ttp180 -139.09 126.81 21.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.012 0.434 . . . . 1.0 110.971 -176.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.466 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 4.8 t -142.47 133.8 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.812 -0.631 . . . . 1.0 109.85 176.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 46.9 pttt -144.0 159.77 42.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.092 0.473 . . . . 1.0 111.178 -178.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.4 p -110.25 139.49 33.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.669 -0.696 . . . . 1.0 109.856 178.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.575 ' HB2' HBB1 ' A' ' 301' ' ' CYC . 11.2 t80 -123.79 123.26 40.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.916 0.389 . . . . 1.0 111.184 -177.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.645 HH22 ' CD1' ' A' ' 35' ' ' LEU . 30.9 ttm-85 -95.14 163.67 13.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.927 -0.579 . . . . 1.0 109.932 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.423 ' H ' ' HG2' ' A' ' 55' ' ' ARG . 83.2 t80 -129.74 145.68 51.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.943 0.401 . . . . 1.0 110.822 -178.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 61' ' ' HIS . 18.3 t70 -117.26 135.37 23.13 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.291 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -45.1 -28.33 3.28 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.711 2.274 . . . . 1.0 112.072 179.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -74.27 -5.61 43.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.436 -178.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.41 17.11 43.71 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.789 -0.924 . . . . 1.0 110.789 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.487 ' O ' ' N ' ' A' ' 57' ' ' ASP . 95.6 m-70 -117.25 143.78 45.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 1.0 110.693 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.433 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -138.46 160.98 25.67 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.595 -1.002 . . . . 1.0 110.595 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 75.0 p -139.71 159.43 42.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.82 0.343 . . . . 1.0 110.733 -178.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.3 t -99.45 115.81 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.207 176.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 23.5 m -101.94 3.92 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.898 -177.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -162.83 149.39 12.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.387 . . . . 1.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.51 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 88.0 tt0 -167.34 128.92 1.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.268 -178.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.462 ' O ' ' HA ' ' A' ' 50' ' ' ARG . . . -118.22 150.14 39.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.815 176.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.5 ptt-85 -137.06 142.64 42.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.508 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.511 ' C ' ' H ' ' A' ' 72' ' ' GLU . . . -96.12 -108.34 2.39 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.33 2.22 2.44 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.774 -0.93 . . . . 1.0 110.774 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.511 ' H ' ' C ' ' A' ' 70' ' ' GLY . 68.2 tt0 63.3 55.18 1.89 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.745 0.307 . . . . 1.0 110.571 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.606 ' HE ' ' CB ' ' A' ' 49' ' ' ASP . 7.5 ptp180 -84.81 -16.56 41.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.527 177.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.7 mt -136.49 128.8 17.32 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.513 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -49.29 172.41 0.06 OUTLIER 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.801 2.334 . . . . 1.0 112.07 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.8 p -88.85 122.66 32.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.743 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 41.0 mt -96.38 -7.66 34.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.459 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.51 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 6.0 tp -45.74 135.1 7.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.517 -178.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.52 -0.29 74.06 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.856 -0.897 . . . . 1.0 110.856 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.9 tp -93.83 128.86 40.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.847 0.356 . . . . 1.0 110.53 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.1 t -95.45 125.95 40.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.652 178.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -95.84 144.67 28.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.497 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -81.41 132.89 8.24 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.896 2.397 . . . . 1.0 112.14 178.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -46.49 -35.07 5.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.648 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.424 ' O ' HMC1 ' A' ' 301' ' ' CYC . . . -49.95 -24.36 6.3 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.969 -0.852 . . . . 1.0 110.969 179.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.459 ' OD2' HMB2 ' A' ' 301' ' ' CYC . 53.6 t0 -48.82 -25.77 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 1.0 110.584 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.411 HD12 HG22 ' A' ' 87' ' ' ILE . 3.0 pt -130.52 136.05 28.35 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.583 179.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.58 ' CD ' HAD1 ' A' ' 301' ' ' CYC . 72.3 Cg_endo -74.52 -107.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.869 2.379 . . . . 1.0 112.102 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.507 ' O ' ' NH1' ' A' ' 93' ' ' ARG . 23.1 pt-20 -166.68 -29.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.535 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 91' ' ' ALA . 11.4 pt-20 -73.14 -45.25 57.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.571 -179.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.474 ' N ' ' CG ' ' A' ' 90' ' ' GLU . . . -59.24 -31.81 69.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.549 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -70.43 -22.88 62.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.527 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.528 ' O ' ' N ' ' A' ' 97' ' ' LEU . 72.6 mmt-85 -56.24 -59.81 4.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.506 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.436 ' CD1' ' CZ ' ' A' ' 133' ' ' ARG . 15.4 mt -54.69 -36.54 64.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.548 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.572 ' O ' ' NH1' ' A' ' 101' ' ' ARG . 8.9 m-85 -65.9 -52.27 51.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.702 179.133 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -76.17 -18.04 59.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.674 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 93' ' ' ARG . 25.1 tp -91.07 -46.89 7.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.28 -178.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 99' ' ' GLN . . . -103.78 -39.73 6.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.361 -176.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.435 ' CG ' ' O ' ' A' ' 95' ' ' PHE . 94.8 mt-30 63.91 68.76 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.308 177.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.621 ' C ' ' HG2' ' A' ' 101' ' ' ARG . 15.4 m -107.49 -42.48 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.819 176.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.621 ' HG2' ' C ' ' A' ' 100' ' ' VAL . 0.1 OUTLIER 62.34 55.67 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.328 175.149 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 69.2 t -148.61 125.46 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.615 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.4 ' CD1' ' N ' ' A' ' 103' ' ' ILE . 1.7 mp -109.49 137.05 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.739 176.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.481 ' CG2' ' N ' ' A' ' 105' ' ' ASP . 12.8 p -79.52 168.97 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.302 -178.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.481 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 3.5 m-20 -48.41 124.05 7.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.4 -178.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.2 m -63.61 -14.01 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.535 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.453 ' C ' ' H ' ' A' ' 109' ' ' GLN . 2.8 pt-20 -79.89 -30.98 40.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.321 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.45 -7.92 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.319 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.453 ' H ' ' C ' ' A' ' 107' ' ' GLU . 90.3 mt-30 48.08 59.35 4.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.718 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.83 138.98 30.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.363 175.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -122.26 133.07 54.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.78 -176.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.483 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 1.2 t -143.36 118.09 9.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.185 177.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.48 HG22 ' H ' ' A' ' 114' ' ' SER . 0.8 OUTLIER -121.47 -164.7 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.804 -179.574 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.48 ' H ' HG22 ' A' ' 113' ' ' ILE . 9.2 t -75.65 171.59 14.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.703 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.419 ' H ' ' HG ' ' A' ' 114' ' ' SER . 82.1 mt-30 -148.27 152.14 38.55 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.516 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -36.52 145.83 0.08 OUTLIER 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.788 2.325 . . . . 1.0 112.211 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 46.37 91.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.586 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 87.6 p -61.57 -26.91 68.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.678 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 73.9 t-105 -86.06 130.89 34.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.595 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 169.95 -172.16 43.69 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.873 -0.891 . . . . 1.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 21.5 mt 53.41 17.65 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.728 0.299 . . . . 1.0 110.568 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 83.4 p -63.37 -23.26 67.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.563 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.6 -19.26 63.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.611 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 63.91 55.7 1.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.526 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 24.8 m -67.34 137.27 93.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.551 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -74.32 138.48 24.88 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.79 2.327 . . . . 1.0 112.059 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 27.1 mt 40.13 -144.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.658 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 86.05 11.94 72.06 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -120.14 155.43 55.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.381 . . . . 1.0 110.614 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -61.78 162.25 22.45 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.874 2.383 . . . . 1.0 112.11 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.5 tp -70.66 -4.28 22.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.492 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -132.16 170.08 15.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.459 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.436 ' CZ ' ' CD1' ' A' ' 94' ' ' LEU . 6.3 mmm180 -135.29 92.49 17.77 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.713 -179.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -51.21 145.36 26.85 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.778 2.319 . . . . 1.0 112.003 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.58 ' CG2' ' ND1' ' A' ' 139' ' ' HIS . 34.5 m -126.48 135.48 63.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.581 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.575 ' OD1' HBD1 ' A' ' 301' ' ' CYC . 0.0 OUTLIER -41.86 156.65 0.22 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.467 179.503 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -57.07 -47.02 24.86 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.82 2.346 . . . . 1.0 111.897 -178.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.546 ' SG ' ' CHD' ' A' ' 301' ' ' CYC . 0.4 OUTLIER -49.8 -25.46 3.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.351 179.61 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.58 ' ND1' ' CG2' ' A' ' 135' ' ' VAL . 42.5 t-80 -87.83 -42.94 12.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.254 176.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 59.3 t -49.93 -49.32 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.557 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -65.72 -39.63 91.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.461 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -46.15 -49.61 16.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.405 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.441 ' CD2' ' HE2' ' A' ' 169' ' ' HIS . 96.0 mt -68.91 -48.42 63.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.418 178.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -57.13 -41.62 79.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.492 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 28.1 t -53.17 -27.5 21.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.521 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 46.1 mtt -88.99 2.94 53.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.455 178.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 67.87 22.11 73.66 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 4.4 t -107.1 118.32 54.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.783 0.325 . . . . 1.0 110.708 179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -79.96 -34.29 38.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.251 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.456 ' OG ' ' OH ' ' A' ' 176' ' ' TYR . 30.7 t -108.8 143.44 37.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.074 -178.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 12.5 p -138.48 106.15 5.61 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.696 -0.402 . . . . 1.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 56.4 tp -98.45 126.26 43.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.99 -0.55 . . . . 1.0 109.973 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.448 HG22 ' N ' ' A' ' 154' ' ' VAL . 10.6 p -120.99 147.15 25.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.058 0.456 . . . . 1.0 111.19 -179.163 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.448 ' N ' HG22 ' A' ' 153' ' ' VAL . 2.2 t -151.55 75.03 7.92 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 115.736 -0.665 . . . . 1.0 110.024 -177.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -49.56 154.62 4.24 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.948 2.432 . . . . 1.0 112.696 -177.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 58.0 mt -117.53 100.25 7.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.183 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 16.2 ptm -114.31 135.88 53.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.751 -178.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . 0.623 ' ND1' ' NE2' ' A' ' 159' ' ' HIS . 3.5 t-80 -116.76 124.66 50.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.397 177.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.623 ' NE2' ' ND1' ' A' ' 158' ' ' HIS . 63.2 m-70 70.55 -110.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.443 -178.208 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -121.34 0.41 10.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.41 -178.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -116.61 165.22 13.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.541 -177.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 4.0 mp -105.08 121.53 43.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.478 178.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . 0.437 ' CE3' ' OE2' ' A' ' 199' ' ' GLU . 79.1 m95 -103.28 -41.5 6.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.901 -177.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -138.31 -178.81 16.51 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.241 -0.744 . . . . 1.0 111.241 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.2 tp -149.18 126.11 11.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.703 0.287 . . . . 1.0 110.441 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 12.1 tp -105.93 142.99 34.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.597 177.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 71.0 t -152.46 146.43 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.78 -177.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.488 ' O ' ' ND1' ' A' ' 169' ' ' HIS . 1.1 m -128.46 138.58 52.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.354 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . 0.488 ' ND1' ' O ' ' A' ' 168' ' ' SER . 0.3 OUTLIER -133.89 140.07 46.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.762 -179.252 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . 0.531 ' O ' ' O ' ' A' ' 171' ' ' ALA . 1.1 p-80 -173.7 172.74 3.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.487 -178.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.531 ' O ' ' O ' ' A' ' 170' ' ' HIS . . . -51.85 -160.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.56 178.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . 0.564 ' OE1' ' N ' ' A' ' 172' ' ' GLU . 0.0 OUTLIER -114.48 82.32 7.61 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.568 179.315 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . 0.449 ' O ' ' O ' ' A' ' 174' ' ' ARG . 94.1 Cg_endo -84.52 73.78 4.42 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.834 2.356 . . . . 1.0 112.069 178.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' A' ' 173' ' ' PRO . 57.9 mtt85 56.87 154.63 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.446 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -48.45 170.02 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.795 2.33 . . . . 1.0 112.045 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . 0.456 ' OH ' ' OG ' ' A' ' 150' ' ' SER . 0.1 OUTLIER -109.27 143.92 38.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.592 179.457 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 33.1 t -92.1 136.08 33.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.58 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -66.75 -38.38 86.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.546 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -60.33 -53.25 59.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.492 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -65.1 -31.51 72.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.46 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 26.5 tp -60.56 -41.26 94.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.384 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -57.99 -53.13 61.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.314 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 57.8 t -43.9 -46.67 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.156 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . 0.411 ' O ' ' N ' ' A' ' 187' ' ' LEU . 77.3 t -74.19 -38.66 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.21 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -47.03 -38.77 11.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.051 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 57.9 mt -73.72 -32.99 64.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.027 178.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 184' ' ' VAL . 24.3 tp -56.38 -32.62 64.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.116 179.105 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -74.6 -39.58 62.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.049 178.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . 0.453 ' O ' ' OG ' ' A' ' 192' ' ' SER . 91.4 m-20 -56.37 -41.54 76.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.182 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . 0.408 ' O ' ' OE1' ' A' ' 190' ' ' GLN . 0.7 OUTLIER -53.33 -55.1 27.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.121 178.865 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 194' ' ' ALA . 97.2 t -53.51 -41.8 46.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.092 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 192' ' ' SER . . . . . 0.453 ' OG ' ' O ' ' A' ' 189' ' ' ASP . 3.8 p -47.83 -30.31 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.114 179.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . 0.45 HG21 ' N ' ' A' ' 194' ' ' ALA . 1.1 tp -80.65 -32.56 13.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.172 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . 0.45 ' N ' HG21 ' A' ' 193' ' ' ILE . . . -71.14 -46.13 62.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.299 -179.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 16.7 tt -65.18 -33.15 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.26 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . 0.419 ' HB3' ' CD2' ' A' ' 158' ' ' HIS . . . -75.83 -56.23 4.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.326 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -57.63 -24.71 57.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.363 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -73.96 -37.58 64.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.414 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . 0.437 ' OE2' ' CE3' ' A' ' 163' ' ' TRP . 91.0 mt-10 -53.46 -39.13 64.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.414 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . 0.445 ' CD1' ' N ' ' A' ' 200' ' ' LEU . 9.7 mp -56.97 -64.41 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.544 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 22.9 t -73.26 -63.87 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.436 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 19.3 mt . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.934 -1.031 . . . . 1.0 110.532 -179.662 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 301' ' ' CYC . . . . . 0.58 HAD1 ' CD ' ' A' ' 88' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.404 ' O ' ' HG ' ' A' ' 35' ' ' LEU . 7.8 tp . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.839 0.352 . . . . 1.0 110.645 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.0 p-10 -70.45 -31.77 69.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.597 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -79.12 -47.12 16.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.511 -178.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.9 tp -66.98 -27.94 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.55 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.584 ' O ' HG21 ' A' ' 38' ' ' THR . 82.3 mt -80.02 -22.97 41.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.623 -179.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -75.53 -35.13 60.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.538 178.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.48 -32.71 32.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.631 -177.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.584 HG21 ' O ' ' A' ' 35' ' ' LEU . 5.4 t -64.47 -45.04 89.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.624 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.54 ' N ' ' CG2' ' A' ' 38' ' ' THR . 53.9 t -58.57 -39.15 74.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.666 178.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.81 -38.22 76.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.588 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -62.59 -45.15 94.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.463 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.6 t -64.73 -40.31 88.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.525 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.567 ' O ' ' N ' ' A' ' 47' ' ' GLY . 61.9 ttp85 -51.77 -47.61 64.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.515 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.11 -36.03 76.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.513 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -79.03 -52.82 7.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.531 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 48' ' ' THR . 1.1 tp -78.93 -4.19 48.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.597 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.567 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 42.65 21.01 0.08 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 177.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.573 ' OG1' ' ND1' ' A' ' 170' ' ' HIS . 6.8 t -74.39 137.38 42.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.783 0.325 . . . . 1.0 110.626 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 50' ' ' ARG . 16.9 p30 -72.03 -14.91 62.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.564 -176.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.533 ' NH2' ' O ' ' A' ' 75' ' ' PRO . 14.7 ttt180 -151.77 118.05 5.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.977 0.417 . . . . 1.0 111.049 -178.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.3 p -153.64 137.37 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.913 -0.585 . . . . 1.0 109.905 176.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.632 ' HZ1' ' CE1' ' A' ' 169' ' ' HIS . 11.7 pttm -147.26 160.39 42.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.003 0.43 . . . . 1.0 111.299 -178.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.1 p -97.43 138.68 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.741 -0.663 . . . . 1.0 109.882 178.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.428 ' O ' ' N ' ' A' ' 165' ' ' LEU . 30.5 t80 -121.03 118.78 30.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.91 0.386 . . . . 1.0 111.264 -177.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -95.83 162.03 13.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.961 -0.563 . . . . 1.0 109.885 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.525 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 89.4 t80 -128.85 145.61 51.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.902 0.382 . . . . 1.0 110.892 -178.136 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.525 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 24.3 m-20 -115.45 148.25 40.51 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.256 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -60.52 -21.83 69.85 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.673 2.249 . . . . 1.0 112.056 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -80.34 -6.16 57.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.447 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.36 22.19 27.61 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.765 -0.934 . . . . 1.0 110.765 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -116.48 138.62 51.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.898 0.38 . . . . 1.0 110.719 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -128.83 149.83 18.55 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.592 -1.003 . . . . 1.0 110.592 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.7 p -133.61 154.42 50.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.851 0.358 . . . . 1.0 110.716 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.8 t -98.73 114.63 36.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.223 175.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.478 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 5.8 p -104.85 1.59 10.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.827 -175.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -160.37 147.36 15.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.378 . . . . 1.0 110.919 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.469 ' OE2' ' O ' ' A' ' 68' ' ' ALA . 7.8 tp10 -166.68 127.25 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.943 -0.572 . . . . 1.0 110.272 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.469 ' O ' ' OE2' ' A' ' 67' ' ' GLU . . . -131.48 150.24 52.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.82 178.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.533 ' NH2' ' O ' ' A' ' 71' ' ' GLY . 2.9 ptm180 -147.51 153.51 39.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.401 -179.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.75 -49.08 1.55 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.834 -0.906 . . . . 1.0 110.834 179.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.533 ' O ' ' NH2' ' A' ' 69' ' ' ARG . . . -98.25 -138.65 10.34 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.748 -0.941 . . . . 1.0 110.748 178.387 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.553 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -166.22 58.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.807 0.337 . . . . 1.0 110.542 178.867 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -89.0 -15.75 33.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.516 177.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.4 mt -134.4 163.26 52.43 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.506 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.533 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 6.3 Cg_exo -80.22 173.13 12.9 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.726 2.284 . . . . 1.0 112.06 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.6 p -91.24 133.92 35.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.684 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.527 ' CD1' ' NH2' ' A' ' 50' ' ' ARG . 15.3 mt -107.55 -6.55 16.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.477 -178.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 40.3 tp -48.74 136.92 12.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.498 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.37 -0.62 83.57 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.3 tp -97.28 131.63 43.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 1.0 110.511 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.74 125.08 38.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.654 178.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -96.12 142.4 24.52 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.516 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -78.94 138.55 14.72 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.78 2.32 . . . . 1.0 112.203 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.61 -32.98 63.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.633 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.98 -23.74 3.91 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.984 -0.846 . . . . 1.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -48.8 -20.56 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.778 0.323 . . . . 1.0 110.543 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.405 HG22 HBA1 ' A' ' 301' ' ' CYC . 29.4 pt -144.59 144.74 25.93 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.527 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -78.85 -97.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.91 2.406 . . . . 1.0 112.105 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.415 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 21.7 pt-20 -170.94 -41.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.595 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.415 ' N ' ' CG ' ' A' ' 89' ' ' GLU . 21.8 pt-20 -54.45 -40.36 68.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.577 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.4 ' N ' ' CG ' ' A' ' 90' ' ' GLU . . . -63.59 -34.71 78.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.51 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -68.21 -23.02 64.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.529 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 97' ' ' LEU . 29.4 mmt180 -57.85 -56.35 23.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.526 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.58 ' O ' ' N ' ' A' ' 98' ' ' ALA . 32.9 mt -53.11 -36.48 60.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.502 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -67.56 -36.32 80.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.724 178.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -86.54 -22.03 26.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.693 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 93' ' ' ARG . 9.9 mp -103.92 -47.95 4.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.248 -177.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.58 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -95.02 -17.16 22.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.508 -176.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.501 ' C ' ' O ' ' A' ' 98' ' ' ALA . 91.4 mt-30 33.06 62.93 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.391 178.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 101' ' ' ARG . 12.4 p -117.46 -46.63 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.812 177.027 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.476 ' N ' ' CG1' ' A' ' 100' ' ' VAL . 0.0 OUTLIER 51.83 69.88 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.249 174.021 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.6 p -143.79 124.89 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.584 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.479 ' CD1' ' N ' ' A' ' 103' ' ' ILE . 1.8 mp -109.16 131.34 60.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.694 179.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.5 m -82.98 171.02 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.277 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -50.9 121.07 5.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.462 -178.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.5 m -59.0 -9.86 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.534 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.416 ' C ' ' H ' ' A' ' 109' ' ' GLN . 16.0 pt-20 -79.68 -33.46 41.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.359 -179.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.05 -9.91 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.358 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.416 ' H ' ' C ' ' A' ' 107' ' ' GLU . 25.9 mt-30 47.23 58.39 4.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.717 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 p -87.7 139.9 30.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.419 175.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 43.2 ptt85 -123.04 132.93 54.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.798 -177.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.438 ' O ' ' OD2' ' A' ' 136' ' ' ASP . 0.1 OUTLIER -145.67 118.86 8.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.234 178.158 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 33.5 pt -120.42 -165.74 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.798 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.419 ' HG ' ' H ' ' A' ' 115' ' ' GLN . 35.3 t -77.33 174.31 10.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.676 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.485 ' NE2' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -143.16 153.75 60.33 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.445 -179.86 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.96 -48.52 0.28 Allowed 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.858 2.372 . . . . 1.0 112.198 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.485 ' O ' ' NE2' ' A' ' 115' ' ' GLN . 95.4 mt-10 -98.62 154.3 18.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.607 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.0 t -68.69 159.8 31.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.591 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 63.9 t-105 -52.84 -35.91 58.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.564 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -163.19 -171.28 29.25 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.879 -0.888 . . . . 1.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 45.4 tp -54.78 -37.68 66.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.858 0.361 . . . . 1.0 110.558 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.3 m -117.11 141.5 48.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.507 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.87 -30.78 68.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.569 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 -103.07 83.53 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.573 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 4.5 t -101.64 109.77 60.16 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.5 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 127' ' ' LEU . 84.7 Cg_exo -45.74 134.93 13.57 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.785 2.323 . . . . 1.0 112.1 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 126' ' ' PRO . 22.2 mt 35.35 -152.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.554 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.99 28.45 68.57 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.919 -0.872 . . . . 1.0 110.919 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -115.9 150.15 44.48 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.933 0.397 . . . . 1.0 110.534 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -48.42 162.8 0.3 Allowed 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.897 2.398 . . . . 1.0 112.138 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 35.6 mt -84.22 3.17 36.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.449 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -147.74 164.3 34.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.499 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 133' ' ' ARG . 14.9 mmt-85 -122.18 85.37 46.6 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.671 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -54.63 143.99 66.27 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.789 2.326 . . . . 1.0 111.923 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.561 ' CG2' ' ND1' ' A' ' 139' ' ' HIS . 31.2 m -122.69 130.02 74.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.575 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.67 ' OD1' ' N ' ' A' ' 136' ' ' ASP . 0.0 OUTLIER -42.84 174.19 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.42 179.612 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 140' ' ' VAL . 13.6 Cg_exo -67.56 -48.91 1.35 Allowed 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.863 2.375 . . . . 1.0 111.924 -178.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.646 ' SG ' ' HHD' ' A' ' 301' ' ' CYC . 0.1 OUTLIER -47.57 -23.16 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.35 179.503 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.561 ' ND1' ' CG2' ' A' ' 135' ' ' VAL . 29.5 t-80 -88.41 -38.52 15.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.291 176.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 137' ' ' PRO . 68.7 t -50.43 -47.84 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.546 178.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -67.98 -42.35 80.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.494 178.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . 0.453 ' O ' ' OG ' ' A' ' 145' ' ' SER . 61.7 t80 -45.77 -54.74 7.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.494 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 51.4 mt -68.11 -50.95 51.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.388 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -55.1 -39.88 69.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.469 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.453 ' OG ' ' O ' ' A' ' 142' ' ' TYR . 59.1 p -54.91 -25.6 30.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.462 179.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 52.0 mtt -91.88 -0.35 57.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.423 178.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 67.96 22.18 73.87 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.511 ' O ' ' CG2' ' A' ' 148' ' ' VAL . 3.6 m -109.49 119.32 58.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.775 0.321 . . . . 1.0 110.676 179.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -88.47 -21.46 24.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.241 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.498 ' HG ' ' CD2' ' A' ' 170' ' ' HIS . 2.2 t -111.18 140.87 45.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.136 -179.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.4 t -145.79 118.05 8.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.92 0.39 . . . . 1.0 111.143 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 17.0 tp -115.27 135.69 53.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.006 -0.543 . . . . 1.0 109.995 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.48 155.55 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.12 0.486 . . . . 1.0 111.193 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 4.8 p -160.65 83.89 2.0 Allowed Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.633 -0.712 . . . . 1.0 109.936 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -50.83 156.26 4.83 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.922 2.415 . . . . 1.0 112.739 -176.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 28.7 mt -116.35 95.88 5.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.175 178.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 15.4 ptm -110.29 136.94 48.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.763 -177.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . 0.492 ' O ' ' HB3' ' A' ' 159' ' ' HIS . 20.0 t60 -120.43 122.84 41.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.341 177.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.492 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 64.9 t60 77.63 -115.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.417 -177.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -121.0 1.81 10.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.376 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -117.03 166.18 12.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.621 -177.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 13.0 mt -105.66 123.75 48.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.479 178.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 82.5 m95 -102.18 -35.57 8.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.906 -177.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -147.92 177.69 26.01 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.25 -0.74 . . . . 1.0 111.25 -178.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 54' ' ' TYR . 2.3 tp -143.92 130.41 20.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.689 0.28 . . . . 1.0 110.448 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 21.3 tp -104.68 143.56 32.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.547 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 7.7 p -151.64 139.54 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.644 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 42.4 m -125.35 146.88 49.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.381 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . 0.632 ' CE1' ' HZ1' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -143.21 138.5 29.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.745 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . 0.573 ' ND1' ' OG1' ' A' ' 48' ' ' THR . 1.0 OUTLIER -172.13 170.25 5.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.489 -178.737 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -55.18 -174.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.601 178.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 67.9 tt0 -118.12 81.15 16.06 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.567 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -85.13 -37.14 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.895 2.396 . . . . 1.0 112.07 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -160.61 154.03 18.58 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.483 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -66.06 176.93 3.38 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.761 2.307 . . . . 1.0 112.057 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . 0.426 ' OH ' ' OG ' ' A' ' 150' ' ' SER . 0.1 OUTLIER -113.28 135.01 54.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.608 -179.811 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 50.5 m -89.12 139.06 30.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.568 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -65.98 -39.43 90.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.49 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . 0.443 ' H ' ' CD ' ' A' ' 179' ' ' GLU . 47.7 mp0 -62.91 -53.54 52.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.466 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -64.34 -33.18 75.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.384 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 26.0 tp -58.85 -42.04 88.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.372 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -56.2 -50.97 69.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.293 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 61.8 t -43.06 -46.31 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.172 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 187' ' ' LEU . 60.1 t -74.28 -38.59 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.162 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -47.33 -38.01 12.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.063 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 52.7 mt -73.86 -34.68 64.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.075 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 184' ' ' VAL . 26.3 tp -55.97 -32.56 63.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.126 178.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -73.49 -36.91 65.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.119 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -56.1 -39.55 72.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.123 178.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -53.95 -54.28 41.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.167 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 92.7 t -54.81 -42.35 61.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.026 -0.533 . . . . 1.0 110.162 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 2.5 m -49.77 -30.6 9.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.068 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 65.2 mt -81.46 -34.56 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.081 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -69.59 -45.53 68.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.23 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 3.2 tp -64.6 -33.76 65.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.266 179.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . 0.474 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -76.14 -56.1 4.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.339 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -58.91 -26.61 64.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.374 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -75.18 -36.98 61.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.463 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -54.47 -39.1 67.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.401 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 40.2 mt -61.63 -58.6 7.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.462 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 22.2 t -61.68 -47.5 85.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.5 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 11.3 tp . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.018 -0.992 . . . . 1.0 110.549 179.937 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 301' ' ' CYC . . . . . 0.646 ' HHD' ' SG ' ' A' ' 138' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.9 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.843 0.354 . . . . 1.0 110.57 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -46.45 -30.6 2.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.644 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -77.12 -45.72 25.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.486 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -67.31 -29.26 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.528 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.49 ' O ' ' OG1' ' A' ' 38' ' ' THR . 95.4 mt -76.72 -25.08 53.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.653 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.518 ' NH1' ' OE2' ' A' ' 40' ' ' GLU . 0.6 OUTLIER -64.34 -32.43 74.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.523 177.546 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.86 -24.52 35.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.619 179.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.49 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 73.6 p -71.49 -48.05 51.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.614 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.433 ' CG1' ' N ' ' A' ' 40' ' ' GLU . 5.3 p -57.05 -38.18 58.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.61 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.518 ' OE2' ' NH1' ' A' ' 36' ' ' ARG . 98.0 mt-10 -70.02 -39.02 76.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.582 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -64.86 -44.77 88.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.481 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 70.2 t -60.27 -53.21 51.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.483 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 47' ' ' GLY . 6.3 tmm_? -51.1 -44.83 61.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.587 179.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.16 -40.96 95.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.556 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -71.65 -52.95 15.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.525 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 48' ' ' THR . 77.2 mt -78.85 -2.03 37.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.567 179.168 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 41.01 20.67 0.04 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 178.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.559 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.3 m -71.84 138.57 48.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 1.0 110.562 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.526 ' O ' ' HA ' ' A' ' 69' ' ' ARG . 93.3 m-20 -49.42 -43.27 44.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.574 -177.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.812 HH21 ' H ' ' A' ' 77' ' ' LEU . 72.5 ttt-85 -145.51 130.97 18.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.947 0.404 . . . . 1.0 111.036 -176.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.8 p -145.09 139.27 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.851 -0.613 . . . . 1.0 109.878 177.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.637 ' CE ' HH12 ' A' ' 50' ' ' ARG . 19.3 pttp -145.9 159.62 42.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.021 0.438 . . . . 1.0 111.317 -177.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 80.0 t -98.25 137.1 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.734 -0.666 . . . . 1.0 109.855 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.617 ' HB2' HBB2 ' A' ' 301' ' ' CYC . 60.6 t80 -117.6 114.92 24.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.847 0.356 . . . . 1.0 111.197 -178.029 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -93.2 163.11 13.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.031 -0.531 . . . . 1.0 109.893 -179.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.536 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 81.3 t80 -132.27 147.4 52.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.938 0.399 . . . . 1.0 110.882 -178.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.577 ' N ' ' O ' ' A' ' 61' ' ' HIS . 15.5 m-20 -116.21 148.21 41.07 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.91 -0.587 . . . . 1.0 110.264 179.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.98 -28.74 88.69 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.756 2.304 . . . . 1.0 112.065 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -73.53 -7.19 50.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.389 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.43 23.81 13.58 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.792 -0.923 . . . . 1.0 110.792 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.577 ' O ' ' N ' ' A' ' 57' ' ' ASP . 78.5 m80 -119.6 141.11 49.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.859 0.361 . . . . 1.0 110.743 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -131.8 153.5 20.51 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.616 -0.994 . . . . 1.0 110.616 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 66.2 p -137.11 157.76 45.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.343 . . . . 1.0 110.747 -178.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.0 t -101.59 116.34 45.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.222 176.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.1 m -105.63 2.27 10.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.833 -175.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -156.71 147.44 21.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.902 0.382 . . . . 1.0 110.888 -179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.571 ' OE2' ' N ' ' A' ' 68' ' ' ALA . 7.2 tp10 -165.39 123.69 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.323 179.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.571 ' N ' ' OE2' ' A' ' 67' ' ' GLU . . . -124.02 134.9 53.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.803 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.526 ' HA ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -119.25 141.46 48.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.507 -179.841 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.87 -81.88 1.49 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.31 -2.73 87.52 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.766 -0.933 . . . . 1.0 110.766 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 63.29 54.02 2.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.78 0.324 . . . . 1.0 110.53 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -80.06 -57.49 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.493 179.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 29.7 mt -90.14 147.42 36.99 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.45 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -64.21 166.44 16.87 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.804 2.336 . . . . 1.0 112.056 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.7 t -84.73 133.49 34.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.66 -179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.812 ' H ' HH21 ' A' ' 50' ' ' ARG . 34.4 mt -112.11 -17.05 12.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.467 -179.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 77' ' ' LEU . 16.5 tp -34.32 138.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.545 -177.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.96 -0.03 69.0 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 mt -89.8 127.3 35.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 1.0 110.514 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.2 p -102.59 131.14 49.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.649 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.474 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 13.0 m-85 -106.64 141.6 23.17 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.544 -178.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -77.44 152.07 29.81 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.817 2.345 . . . . 1.0 112.131 177.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.76 -34.54 71.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.64 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.81 -26.92 8.67 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.028 -0.829 . . . . 1.0 111.028 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -55.45 -25.61 37.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.77 0.319 . . . . 1.0 110.549 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 38.0 mt -126.17 130.97 23.82 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.594 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.428 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 71.5 Cg_endo -76.59 -111.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.778 2.319 . . . . 1.0 112.169 -179.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.428 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 87.2 mt-10 -154.49 -56.93 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.541 -179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.511 ' OE1' ' CZ2' ' A' ' 119' ' ' TRP . 22.4 pt-20 -49.72 -38.9 35.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.55 -179.232 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.427 ' O ' ' CD2' ' A' ' 95' ' ' PHE . . . -70.41 -52.31 23.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.558 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -56.82 -26.51 58.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.531 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -67.15 -49.12 65.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.493 -177.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 98' ' ' ALA . 69.7 mt -47.07 -54.76 9.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.465 -177.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.566 ' CG ' ' CZ ' ' A' ' 101' ' ' ARG . 24.8 m-85 -56.43 -29.39 61.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.678 -178.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -63.75 -27.31 69.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.711 175.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.404 ' N ' ' CD1' ' A' ' 97' ' ' LEU . 10.8 mp -106.19 -27.13 11.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.267 178.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -93.9 -32.57 13.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.452 -178.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.538 ' N ' ' O ' ' A' ' 95' ' ' PHE . 91.6 mt-30 36.13 65.34 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.386 179.215 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' A' ' 101' ' ' ARG . 5.1 p -142.09 -42.07 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.829 178.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.566 ' CZ ' ' CG ' ' A' ' 95' ' ' PHE . 25.4 mmt180 52.62 90.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.28 176.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 68.0 t -152.04 124.12 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.593 179.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.492 ' CD1' ' N ' ' A' ' 103' ' ' ILE . 1.8 mp -104.33 130.27 55.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.79 177.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.6 p -84.3 169.7 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.341 -178.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.451 ' C ' ' H ' ' A' ' 107' ' ' GLU . 5.6 m-20 -60.02 118.14 5.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.447 -178.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 12.5 p -52.87 -12.15 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.58 179.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.734 ' C ' ' H ' ' A' ' 109' ' ' GLN . 4.0 pt-20 -93.63 -27.22 16.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.41 22.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.334 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.734 ' H ' ' C ' ' A' ' 107' ' ' GLU . 33.0 tp60 75.39 52.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.727 177.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 25.4 t -88.39 114.74 25.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.454 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -152.45 110.79 3.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.825 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 40.8 t -136.98 113.48 10.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.2 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.586 HG21 ' H ' ' A' ' 114' ' ' SER . 5.0 mm -113.7 -176.05 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.795 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.586 ' H ' HG21 ' A' ' 113' ' ' ILE . 56.1 p -77.82 159.36 29.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.692 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -163.11 152.4 12.67 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.465 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.41 -20.23 24.27 Favored 'Trans proline' 0 C--N 1.304 -1.784 0 C-N-CA 122.858 2.372 . . . . 1.0 112.193 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -56.55 145.27 28.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.614 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 54.7 p -66.8 152.71 45.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.619 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.511 ' CZ2' ' OE1' ' A' ' 90' ' ' GLU . 63.2 m95 -68.14 -38.03 81.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.538 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 73.47 55.8 5.9 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 31.3 tp -86.63 128.52 35.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.798 0.332 . . . . 1.0 110.559 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 17.4 t -79.53 162.98 25.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.553 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.496 ' O ' ' HB2' ' A' ' 124' ' ' ARG . . . -58.5 -43.47 89.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.523 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.496 ' HB2' ' O ' ' A' ' 123' ' ' ALA . 50.8 ttm-85 170.22 93.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.527 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 15.8 t -119.28 130.85 24.62 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.541 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -74.05 126.26 10.43 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.772 2.314 . . . . 1.0 112.081 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.455 ' CG ' ' H ' ' A' ' 128' ' ' GLY . 6.6 tp 56.14 -124.32 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.656 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.455 ' H ' ' CG ' ' A' ' 127' ' ' LEU . . . 52.07 20.19 6.31 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 179.11 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -109.47 154.77 42.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.915 0.388 . . . . 1.0 110.564 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -46.32 142.43 9.11 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.852 2.368 . . . . 1.0 112.137 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.507 ' CD2' ' NE2' ' A' ' 178' ' ' GLN . 8.7 mp -69.51 -27.38 65.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.431 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -131.66 129.7 41.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.453 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.545 ' CZ ' ' CD1' ' A' ' 94' ' ' LEU . 27.4 ttt85 -112.79 131.34 22.78 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.646 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.98 142.7 35.17 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.754 2.302 . . . . 1.0 112.013 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.443 ' O ' ' CG2' ' A' ' 135' ' ' VAL . 10.9 m -102.53 117.79 48.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.523 -179.301 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.585 ' CG ' HBD2 ' A' ' 301' ' ' CYC . 54.8 p-10 -49.94 150.31 4.11 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.425 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -45.66 -13.04 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.804 2.336 . . . . 1.0 111.905 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 136' ' ' ASP . 0.1 OUTLIER -69.99 -49.08 55.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.375 179.716 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.57 ' ND1' ' C ' ' A' ' 139' ' ' HIS . 0.1 OUTLIER -83.0 -19.76 36.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.242 -178.719 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 44.5 t -52.11 -63.13 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.571 178.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.524 ' O ' ' N ' ' A' ' 145' ' ' SER . 7.3 m80 -60.65 -40.83 93.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.39 178.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -49.55 -58.81 4.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.445 178.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.56 HD13 ' HE2' ' A' ' 139' ' ' HIS . 1.3 tp -66.82 -51.8 51.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.471 -179.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 147' ' ' GLY . 3.2 tmtt? -57.43 -41.68 80.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.452 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.524 ' N ' ' O ' ' A' ' 141' ' ' HIS . 20.2 t -51.95 -25.54 8.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.51 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 29.6 mtt -92.36 -1.1 57.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.46 177.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 144' ' ' LYS . . . 74.93 26.62 66.37 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.3 t -109.82 117.75 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 1.0 110.711 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -79.82 -30.77 40.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.305 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.445 ' O ' ' CD2' ' A' ' 170' ' ' HIS . 26.2 m -146.12 121.74 10.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.135 -178.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.424 ' OG ' ' O ' ' A' ' 168' ' ' SER . 34.1 t -114.22 137.6 51.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.946 0.403 . . . . 1.0 111.032 178.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 37.9 tp -99.78 127.22 45.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.007 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -128.07 159.09 39.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.021 0.439 . . . . 1.0 111.246 -178.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 3.4 t -149.12 126.5 5.57 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 115.731 -0.668 . . . . 1.0 109.985 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -77.05 126.99 9.03 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.966 2.444 . . . . 1.0 112.757 -173.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 12.0 mt -104.0 93.94 5.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.239 177.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 23.6 ptm -121.05 138.89 53.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.782 -177.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . 0.621 ' CD2' ' CD2' ' A' ' 159' ' ' HIS . 70.3 t60 -112.86 123.52 50.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.402 177.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.621 ' CD2' ' CD2' ' A' ' 158' ' ' HIS . 7.8 m-70 61.01 -100.82 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.392 -178.016 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -124.61 5.47 8.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.427 -178.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.464 ' N ' ' OE1' ' A' ' 161' ' ' GLU . 38.2 mp0 -114.42 152.8 30.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.609 -176.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 11.7 tp -106.32 123.23 47.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.399 176.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -100.34 -42.22 6.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.948 -176.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -150.91 -175.09 22.5 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.194 -0.762 . . . . 1.0 111.194 -176.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 54' ' ' TYR . 45.6 tp -150.13 134.53 17.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.759 0.314 . . . . 1.0 110.422 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 66.2 tp -98.38 138.12 36.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.589 178.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 10.1 p -143.42 138.6 26.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.732 -178.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.424 ' O ' ' OG ' ' A' ' 151' ' ' SER . 0.1 OUTLIER -123.54 143.44 50.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.302 177.361 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -118.27 128.98 55.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.784 -178.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . 0.445 ' CD2' ' O ' ' A' ' 150' ' ' SER . 1.8 p-80 -168.12 162.35 12.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.474 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -61.0 -152.26 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.607 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -124.2 75.3 59.98 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.588 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -81.24 -59.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.849 2.366 . . . . 1.0 112.094 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -146.22 152.83 47.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.524 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.99 178.19 2.54 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.772 2.315 . . . . 1.0 112.065 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -108.97 140.02 43.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.57 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 25.1 t -91.22 141.38 28.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.523 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . 0.507 ' NE2' ' CD2' ' A' ' 131' ' ' LEU . 90.7 mt-30 -64.65 -38.5 91.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.518 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -63.38 -57.58 9.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.479 -179.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -62.89 -34.54 77.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.433 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 26.3 tp -58.84 -41.23 86.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.403 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -58.57 -51.06 71.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.339 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 49.6 t -42.06 -47.94 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.174 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 97.1 t -73.96 -38.78 50.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.226 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -47.36 -39.21 14.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.117 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 17.8 tp -71.76 -34.95 69.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.028 177.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 12.7 tp -55.54 -31.98 62.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.086 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -74.39 -35.74 63.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.083 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -60.05 -42.8 95.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.195 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -51.64 -53.81 34.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.191 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 72.1 t -55.28 -40.63 57.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.117 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 3.2 t -47.72 -37.16 12.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.074 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.7 mp -77.38 -34.38 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.111 179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -70.9 -49.81 41.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.228 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . 0.43 ' CG2' ' N ' ' A' ' 196' ' ' ALA . 10.7 tp -66.02 -40.05 86.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.244 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . 0.43 ' N ' ' CG2' ' A' ' 195' ' ' ILE . . . -56.69 -38.29 72.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.335 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . 0.42 ' O ' ' OG ' ' A' ' 201' ' ' SER . 53.9 tp60 -69.83 -22.44 63.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.395 178.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -74.38 -35.94 63.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.451 -179.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -62.65 -49.47 75.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.372 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 42.1 tp -68.84 -52.99 24.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.539 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' SER . . . . . 0.42 ' OG ' ' O ' ' A' ' 197' ' ' GLN . 26.0 m -52.69 -41.59 64.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.565 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 15.8 tp . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.031 -0.985 . . . . 1.0 110.609 179.815 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 301' ' ' CYC . . . . . 0.617 HBB2 ' HB2' ' A' ' 54' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 48.4 tp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.882 0.372 . . . . 1.0 110.572 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -53.26 -34.32 56.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.579 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -76.4 -50.84 13.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.567 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.497 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.5 mp -53.4 -47.48 58.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.493 -178.114 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.465 ' O ' ' OG1' ' A' ' 38' ' ' THR . 87.0 mt -66.96 -27.08 67.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.657 -177.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -34.86 61.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.62 177.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.69 -27.22 29.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.662 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.68 ' HG1' ' H ' ' A' ' 39' ' ' VAL . 61.6 p -68.67 -50.57 50.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.671 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.68 ' H ' ' HG1' ' A' ' 38' ' ' THR . 9.3 p -56.39 -39.92 63.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.673 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.4 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 91.8 mt-10 -73.56 -40.47 63.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.56 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -61.44 -51.79 67.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.512 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.9 t -58.89 -49.52 82.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.468 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.547 ' O ' ' N ' ' A' ' 47' ' ' GLY . 38.7 ttp180 -47.52 -43.82 25.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.515 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.64 -37.11 77.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.549 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -76.04 -50.75 13.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.548 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.55 ' O ' ' N ' ' A' ' 48' ' ' THR . 39.0 mt -80.16 -0.43 35.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.507 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.547 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.72 22.13 0.05 OUTLIER Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 178.06 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.577 ' CG2' ' H ' ' A' ' 50' ' ' ARG . 1.3 m -75.26 138.06 41.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.818 0.342 . . . . 1.0 110.598 179.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.51 ' OD2' ' NH2' ' A' ' 73' ' ' ARG . 53.8 p30 -73.02 -15.51 61.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.596 -176.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.577 ' H ' ' CG2' ' A' ' 48' ' ' THR . 44.8 ttp180 -150.49 116.99 5.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.966 0.412 . . . . 1.0 110.985 -179.295 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.3 p -148.58 135.84 13.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.843 -0.617 . . . . 1.0 109.885 177.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.457 ' HE2' HBB3 ' A' ' 301' ' ' CYC . 13.9 pttm -144.35 162.3 36.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.114 0.483 . . . . 1.0 111.233 -178.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 63.2 t -101.19 136.31 33.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.703 -0.681 . . . . 1.0 109.898 178.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -118.81 117.83 29.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.932 0.396 . . . . 1.0 111.202 -178.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.0 mtp85 -95.33 162.06 13.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.968 -0.56 . . . . 1.0 109.912 179.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -129.17 143.71 50.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.895 0.378 . . . . 1.0 110.906 -178.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -114.75 133.53 22.56 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.283 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -44.88 -24.59 1.28 Allowed 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.71 2.273 . . . . 1.0 112.053 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -78.32 -6.43 55.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.472 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.5 19.48 35.02 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.761 -0.936 . . . . 1.0 110.761 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -113.32 137.81 50.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.865 0.364 . . . . 1.0 110.726 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -128.87 149.92 18.6 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.668 -0.973 . . . . 1.0 110.668 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.7 p -134.81 155.64 50.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 1.0 110.733 -178.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.9 t -97.55 111.83 28.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.223 175.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 9.5 p -102.39 -2.65 9.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.808 -175.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -157.34 146.73 20.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.909 0.385 . . . . 1.0 110.897 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -168.63 126.83 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.268 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -132.53 151.62 51.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.795 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.527 ' O ' ' NH1' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -136.7 143.94 43.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.418 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.45 3.38 79.05 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.833 -0.907 . . . . 1.0 110.833 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -159.63 -114.88 0.38 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.781 -0.928 . . . . 1.0 110.781 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 179.98 44.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.831 0.348 . . . . 1.0 110.594 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.698 ' NH2' ' H ' ' A' ' 171' ' ' ALA . 40.8 ttp180 -78.27 -57.46 3.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.523 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 40.3 mt -92.46 146.67 32.9 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.545 177.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -66.53 168.39 16.59 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.74 2.294 . . . . 1.0 112.059 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 54.9 p -90.17 140.92 29.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.72 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.484 ' O ' ' C ' ' A' ' 78' ' ' LEU . 43.2 mt -116.38 -19.87 9.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.466 -179.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.484 ' C ' ' O ' ' A' ' 77' ' ' LEU . 23.2 tp -34.03 140.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.491 -177.467 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.5 -0.65 71.27 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.81 -0.916 . . . . 1.0 110.81 178.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.3 mt -97.64 134.0 41.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.793 0.33 . . . . 1.0 110.514 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.1 p -97.71 124.87 42.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.656 177.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -100.82 146.05 31.44 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.499 -178.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.4 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 76.5 Cg_endo -79.31 145.16 18.75 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.89 2.393 . . . . 1.0 112.18 178.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.87 -33.94 75.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.591 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.87 -22.8 6.36 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.021 -0.832 . . . . 1.0 111.021 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 87' ' ' ILE . 38.6 p-10 -58.62 -33.03 69.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 1.0 110.587 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.527 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 83.4 mt -119.27 102.42 48.44 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.442 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.489 ' O ' ' O ' ' A' ' 87' ' ' ILE . 81.4 Cg_exo -43.5 -108.69 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.82 2.347 . . . . 1.0 112.157 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.415 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 85.0 tt0 -166.35 -42.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.575 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -53.56 -36.8 62.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.531 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.24 -38.95 86.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.622 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.44 HH21 ' CD2' ' A' ' 162' ' ' LEU . 83.8 mtp180 -70.38 -26.58 63.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.553 -178.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -56.71 -54.57 44.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.518 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.575 ' O ' ' N ' ' A' ' 98' ' ' ALA . 9.1 mp -54.77 -38.03 66.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.522 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.505 ' CZ ' HBA2 ' A' ' 301' ' ' CYC . 6.9 m-85 -59.97 -31.64 70.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.698 178.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -88.63 -19.92 25.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.706 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.4 mt -102.79 -47.21 4.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.202 -177.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.575 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -99.73 -17.86 17.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.393 -175.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.477 ' C ' ' O ' ' A' ' 98' ' ' ALA . 89.3 mt-30 35.43 64.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.369 178.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.534 ' CG2' HH12 ' A' ' 133' ' ' ARG . 16.1 t -111.08 -48.16 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.845 177.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.404 ' NE ' ' HD2' ' A' ' 155' ' ' PRO . 0.0 OUTLIER 54.12 64.75 1.72 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.289 175.062 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 8.0 p -147.81 124.56 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.637 179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.442 ' CG2' ' OG ' ' A' ' 151' ' ' SER . 1.7 mp -108.04 131.38 58.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.713 177.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 10.6 m -82.21 168.69 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.369 -178.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.474 ' C ' ' H ' ' A' ' 107' ' ' GLU . 10.6 m-20 -55.2 119.47 5.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.462 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.6 p -51.46 -11.93 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.571 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.743 ' C ' ' H ' ' A' ' 109' ' ' GLN . 7.1 pt-20 -98.02 -26.32 14.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.328 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 105' ' ' ASP . . . -60.86 23.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.343 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.743 ' H ' ' C ' ' A' ' 107' ' ' GLU . 40.7 tp60 74.65 50.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.004 -0.543 . . . . 1.0 110.677 177.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.33 114.83 24.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.457 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -150.24 108.73 3.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.809 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.491 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 18.1 m -112.5 157.16 21.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.17 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 16.4 tt -158.2 161.87 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.849 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.0 t -75.6 162.78 27.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.72 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.458 ' O ' ' NE2' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -161.25 154.62 18.07 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.475 -179.564 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.453 ' O ' ' O ' ' A' ' 117' ' ' GLU . 36.1 Cg_endo -64.96 143.32 78.72 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.798 2.332 . . . . 1.0 112.233 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.453 ' O ' ' O ' ' A' ' 116' ' ' PRO . 95.9 mt-10 56.64 116.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.59 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.4 m -117.3 146.15 43.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.565 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 66.9 t-105 -107.98 133.09 52.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.557 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 159.28 93.05 0.09 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.5 ' CD1' ' N ' ' A' ' 121' ' ' LEU . 8.1 mp -92.59 144.09 25.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 1.0 110.589 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.463 ' C ' ' H ' ' A' ' 124' ' ' ARG . 25.0 p -79.8 4.52 16.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.577 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.26 2.59 1.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.546 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.463 ' H ' ' C ' ' A' ' 122' ' ' SER . 53.7 ttt180 72.35 46.8 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.566 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 2.9 t -66.51 132.99 94.26 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.551 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 127' ' ' LEU . 82.3 Cg_exo -42.53 169.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.846 2.364 . . . . 1.0 112.103 179.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.527 ' CD1' ' H ' ' A' ' 127' ' ' LEU . 10.2 mp -35.37 -89.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.57 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 51.6 28.94 23.53 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.862 -0.895 . . . . 1.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -130.26 157.35 77.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.888 0.375 . . . . 1.0 110.64 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.462 ' O ' ' NH2' ' A' ' 133' ' ' ARG . 9.0 Cg_endo -48.5 148.67 7.76 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.89 2.393 . . . . 1.0 112.144 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.448 ' CD1' ' N ' ' A' ' 131' ' ' LEU . 9.1 mp -70.28 -9.55 56.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.441 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -135.28 162.9 31.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.495 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.534 HH12 ' CG2' ' A' ' 100' ' ' VAL . 3.9 mmt85 -121.19 83.78 39.44 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.641 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . 0.447 ' C ' ' OG ' ' A' ' 112' ' ' SER . 51.0 Cg_exo -51.7 144.49 33.94 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.764 2.31 . . . . 1.0 111.928 -179.227 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.477 ' O ' ' N ' ' A' ' 112' ' ' SER . 24.5 m -105.1 160.91 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.564 -178.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.613 ' OD1' HMD2 ' A' ' 301' ' ' CYC . 0.0 OUTLIER -94.39 161.24 29.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.433 -179.72 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -53.03 -23.96 23.45 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.874 2.382 . . . . 1.0 111.912 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.6 ' CA ' HBC2 ' A' ' 301' ' ' CYC . 0.1 OUTLIER -68.77 -40.69 79.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.423 178.526 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.678 ' CD2' ' C ' ' A' ' 139' ' ' HIS . 0.1 OUTLIER -81.45 -26.32 35.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.268 179.499 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 38.3 t -50.54 -54.04 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.477 178.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -63.49 -40.08 96.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.438 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -45.26 -54.39 7.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.464 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.439 HD13 ' NE2' ' A' ' 139' ' ' HIS . 21.8 mt -70.95 -50.86 29.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.34 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -55.9 -42.23 75.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.437 -178.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 21.9 t -54.19 -26.4 27.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.569 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 52.6 mtt -94.25 -2.54 52.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.531 177.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 70.05 24.25 76.63 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.931 -0.868 . . . . 1.0 110.931 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.511 HG23 ' N ' ' A' ' 170' ' ' HIS . 6.4 p -110.88 123.57 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.341 . . . . 1.0 110.684 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -94.83 -19.05 20.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.278 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 37.2 t -110.34 138.69 46.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.061 -178.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.442 ' OG ' ' CG2' ' A' ' 103' ' ' ILE . 5.2 p -145.43 120.75 10.25 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.698 -0.401 . . . . 1.0 111.081 179.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 16.8 tp -120.42 136.58 54.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 1.0 109.999 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.428 ' C ' ' CG2' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -120.11 149.06 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.012 0.434 . . . . 1.0 111.22 -178.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.428 ' CG2' ' C ' ' A' ' 153' ' ' VAL . 0.9 OUTLIER -151.24 77.32 7.5 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.719 -0.673 . . . . 1.0 109.948 -179.062 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . 0.404 ' HD2' ' NE ' ' A' ' 101' ' ' ARG . 28.9 Cg_endo -61.15 156.92 42.26 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.987 2.458 . . . . 1.0 112.691 -175.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 35.2 mt -118.69 94.21 4.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.256 178.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 18.1 ptm -108.75 135.7 49.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.781 -177.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . 0.492 ' O ' ' HB3' ' A' ' 159' ' ' HIS . 55.3 t60 -120.45 122.9 41.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.44 177.136 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.492 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 62.6 t60 78.47 -117.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.365 -177.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -121.51 7.85 10.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.45 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -118.02 162.16 18.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.558 -177.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . 0.44 ' CD2' HH21 ' A' ' 92' ' ' ARG . 10.8 mp -105.46 126.3 51.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.417 177.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . 0.433 ' NE1' ' HB3' ' A' ' 158' ' ' HIS . 97.7 m95 -102.87 -37.29 7.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.881 -176.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -148.94 177.95 26.83 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.196 -0.761 . . . . 1.0 111.196 -177.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . 0.445 HD23 HMA2 ' A' ' 301' ' ' CYC . 33.5 tp -144.72 131.37 19.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.76 0.314 . . . . 1.0 110.418 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 7.7 tp -102.77 148.8 25.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.593 179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 4.6 p -152.57 137.47 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.76 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.427 ' OG ' ' OG1' ' A' ' 48' ' ' THR . 0.5 OUTLIER -121.17 140.21 52.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.353 178.122 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . 0.483 ' O ' ' OD1' ' A' ' 49' ' ' ASP . 98.5 m-70 -135.12 134.12 39.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.746 -179.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . 0.511 ' N ' HG23 ' A' ' 148' ' ' VAL . 2.4 p80 -170.1 168.13 8.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.519 -179.163 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.698 ' H ' ' NH2' ' A' ' 73' ' ' ARG . . . -56.65 -170.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.578 179.381 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -118.69 80.36 17.26 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.601 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -84.73 -59.16 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.893 2.395 . . . . 1.0 112.086 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 2.9 ptp85 -142.51 152.65 60.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.573 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.12 176.25 4.05 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.854 2.369 . . . . 1.0 112.029 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . 0.414 ' CD1' ' O ' ' A' ' 176' ' ' TYR . 20.3 p90 -115.59 137.48 52.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.625 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 26.2 t -90.23 143.92 26.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.558 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . 0.42 ' CD ' ' H ' ' A' ' 178' ' ' GLN . 27.5 mp0 -63.93 -32.77 74.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.509 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.11 -45.74 91.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.496 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -72.77 -30.92 64.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.417 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 29.6 tp -56.89 -37.08 70.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.432 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -68.99 -51.21 41.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.33 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 57.2 t -43.08 -49.34 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.168 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 27.2 m -75.4 -34.64 30.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.172 -179.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -48.86 -39.88 27.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.11 177.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 53.1 mt -74.04 -33.0 63.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.038 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 30.4 tp -56.8 -32.2 65.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.101 179.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -74.91 -39.15 61.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.083 178.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -55.29 -39.71 70.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.158 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -54.26 -53.81 48.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.118 178.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 44.0 t -55.31 -41.79 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.141 178.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 3.9 t -48.56 -32.14 7.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.01 179.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 64.9 mt -80.44 -34.28 14.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.159 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -70.21 -46.52 64.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.266 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 8.3 tp -64.21 -42.1 94.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.255 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -67.43 -53.68 26.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.346 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -60.25 -24.54 64.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.373 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -74.39 -37.57 63.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.462 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -55.0 -38.8 68.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.481 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 40.1 tp -62.45 -57.41 11.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.478 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 29.4 m -52.85 -41.93 64.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.534 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 44.6 mt . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 117.951 -1.023 . . . . 1.0 110.564 179.56 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 301' ' ' CYC . . . . . 0.613 HMD2 ' OD1' ' A' ' 136' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.0 mt . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.774 0.321 . . . . 1.0 110.51 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -72.67 -33.56 66.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.562 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -76.85 -55.0 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.512 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.485 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.5 mp -51.02 -54.6 9.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.638 -178.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.49 ' C ' ' HG1' ' A' ' 38' ' ' THR . 40.0 mt -58.44 -31.85 68.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.638 -177.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.512 ' HE ' ' C ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -50.3 -40.23 47.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.607 179.521 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.27 -26.16 42.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.659 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.49 ' HG1' ' C ' ' A' ' 35' ' ' LEU . 31.2 p -71.49 -43.26 66.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.592 178.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 81.1 t -58.63 -40.68 79.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.688 179.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -72.13 -41.69 66.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.602 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -60.62 -45.55 93.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.429 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.7 t -63.91 -47.46 90.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.555 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.521 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.8 OUTLIER -48.05 -44.75 31.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.548 179.667 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.07 -38.15 85.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.498 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -76.7 -52.3 9.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.583 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.9 mt -80.23 -3.76 50.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.626 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 41.78 67.2 0.86 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.976 -0.85 . . . . 1.0 110.976 178.42 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.5 136.26 53.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.817 0.342 . . . . 1.0 110.543 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.542 ' OD2' ' NE ' ' A' ' 73' ' ' ARG . 24.0 p30 -70.74 -14.13 62.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.593 -177.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.541 ' NH1' ' OE2' ' A' ' 67' ' ' GLU . 57.6 ttm-85 -155.81 116.73 3.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.98 0.419 . . . . 1.0 111.008 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.0 p -151.66 138.28 12.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.818 -0.628 . . . . 1.0 109.799 176.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.468 ' NZ ' HAB1 ' A' ' 301' ' ' CYC . 12.6 pttp -146.98 162.6 38.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.103 0.478 . . . . 1.0 111.237 -177.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.7 p -101.46 137.16 30.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.694 -0.684 . . . . 1.0 109.899 177.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.514 ' HB2' HBB3 ' A' ' 301' ' ' CYC . 14.8 t80 -120.3 118.81 31.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.911 0.386 . . . . 1.0 111.201 -177.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -94.74 164.21 13.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.001 -0.545 . . . . 1.0 109.836 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.544 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 77.4 t80 -130.37 146.89 52.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.94 0.4 . . . . 1.0 110.903 -178.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.544 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 23.4 m-20 -116.43 147.68 40.15 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.249 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.99 -24.9 75.5 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.805 2.337 . . . . 1.0 112.083 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.3 mp0 -77.05 -6.87 54.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.34 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.87 23.82 19.4 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.786 -0.925 . . . . 1.0 110.786 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.429 ' O ' ' N ' ' A' ' 57' ' ' ASP . 93.0 m-70 -119.19 140.92 49.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 1.0 110.738 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -133.36 153.97 21.02 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.708 -0.957 . . . . 1.0 110.708 179.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 21.8 p -138.24 159.14 42.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.892 0.377 . . . . 1.0 110.712 -177.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.5 t -100.22 113.2 35.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.198 175.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.2 m -101.53 1.91 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.844 -175.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -162.34 151.62 15.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.949 0.404 . . . . 1.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.541 ' OE2' ' NH1' ' A' ' 50' ' ' ARG . 71.7 tt0 -166.35 126.23 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.202 -179.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -125.95 145.75 50.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.82 179.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.45 151.23 40.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.48 -179.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -100.01 -55.76 0.98 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.876 -0.889 . . . . 1.0 110.876 178.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.85 -131.55 4.51 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.726 -0.949 . . . . 1.0 110.726 178.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -172.74 59.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.807 0.337 . . . . 1.0 110.547 178.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.542 ' NE ' ' OD2' ' A' ' 49' ' ' ASP . 17.2 ptp180 -91.8 -16.64 26.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.451 177.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.508 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 12.2 mt -132.23 151.81 79.02 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.466 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.531 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 49.8 Cg_endo -71.98 172.36 14.81 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.79 2.327 . . . . 1.0 112.094 179.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.8 t -84.23 115.76 22.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.67 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.5 ' O ' ' C ' ' A' ' 78' ' ' LEU . 36.9 mt -90.21 -25.42 20.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.494 -178.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.5 ' C ' ' O ' ' A' ' 77' ' ' LEU . 6.3 tp -32.79 139.01 0.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.589 -178.42 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.28 0.02 68.14 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.844 -0.902 . . . . 1.0 110.844 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 mt -92.0 129.59 37.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.79 0.329 . . . . 1.0 110.561 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.6 m -94.68 120.47 34.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.663 177.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.429 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 15.9 m-85 -98.01 144.02 27.28 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.498 -178.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.405 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 71.8 Cg_endo -78.91 140.37 16.07 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.797 2.331 . . . . 1.0 112.187 178.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.37 -34.33 66.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.718 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -51.44 -23.09 8.54 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.003 -0.839 . . . . 1.0 111.003 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.543 ' OD1' ' N ' ' A' ' 87' ' ' ILE . 40.5 p-10 -59.53 -29.58 67.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.803 0.335 . . . . 1.0 110.599 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.561 ' O ' ' O ' ' A' ' 88' ' ' PRO . 95.7 mt -118.92 99.31 51.13 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.467 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.561 ' O ' ' O ' ' A' ' 87' ' ' ILE . 88.0 Cg_exo -45.59 -116.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.872 2.381 . . . . 1.0 112.146 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.467 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 42.5 tp10 -156.97 -58.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.518 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -45.12 -37.45 4.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.592 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.5 -51.23 37.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.561 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -55.64 -25.61 40.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.545 -178.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -63.22 -49.67 73.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.528 -178.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' A' ' 98' ' ' ALA . 57.3 mt -47.8 -50.93 24.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.459 -178.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 22.8 m-85 -56.86 -27.26 60.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.689 179.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -87.64 -21.62 25.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.621 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.6 mp -104.06 -49.66 3.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.232 -177.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.567 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -96.09 -15.6 22.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.413 -175.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.503 ' C ' ' O ' ' A' ' 98' ' ' ALA . 89.1 mt-30 33.22 62.14 0.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.348 178.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.47 ' CG2' ' N ' ' A' ' 101' ' ' ARG . 22.7 m -110.55 -48.89 6.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.87 177.08 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.47 ' N ' ' CG2' ' A' ' 100' ' ' VAL . 0.4 OUTLIER 55.14 67.06 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.252 174.079 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.482 ' CG2' ' OH ' ' A' ' 176' ' ' TYR . 12.7 p -148.04 126.85 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.614 179.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.485 ' CD1' ' N ' ' A' ' 103' ' ' ILE . 2.6 mp -112.95 136.06 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.667 178.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.485 ' CG1' ' N ' ' A' ' 105' ' ' ASP . 46.1 t -84.62 170.52 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.303 -178.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.485 ' N ' ' CG1' ' A' ' 104' ' ' VAL . 82.2 m-20 -49.99 120.81 4.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.42 -179.185 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 15.1 m -56.52 -6.96 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.579 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.467 ' H ' ' C ' ' A' ' 105' ' ' ASP . 1.7 pp20? -77.92 -33.17 51.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.339 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.27 -14.58 27.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.337 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 48.91 61.0 3.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.738 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.2 m -86.63 139.93 30.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.437 175.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 71.7 mtm-85 -121.79 131.93 54.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.839 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.418 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 5.7 t -139.47 116.16 10.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.186 177.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.498 ' N ' HD12 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -120.89 -166.49 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.752 -179.279 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 69.3 p -81.91 172.22 13.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.706 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -143.32 147.84 41.85 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.491 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -38.68 -61.95 0.35 Allowed 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.866 2.377 . . . . 1.0 112.135 179.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.42 ' HG3' ' H ' ' A' ' 118' ' ' SER . 2.8 pt-20 -162.5 -94.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.654 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.42 ' H ' ' HG3' ' A' ' 117' ' ' GLU . 49.6 m 50.72 14.38 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.635 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.415 ' H ' ' C ' ' A' ' 117' ' ' GLU . 67.8 t-105 -55.84 -39.43 71.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.566 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 57.33 -138.03 48.55 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.951 -0.86 . . . . 1.0 110.951 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 42.6 mt -89.34 140.5 29.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 1.0 110.547 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 79.5 p -144.11 42.88 1.43 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.456 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.551 ' O ' ' HB2' ' A' ' 124' ' ' ARG . . . -55.18 -59.61 4.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.512 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.551 ' HB2' ' O ' ' A' ' 123' ' ' ALA . 20.7 tpt180 168.4 86.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.512 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.429 ' CG1' ' O ' ' A' ' 125' ' ' VAL . 7.1 p -115.08 95.49 42.25 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.537 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -48.69 128.53 18.65 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.763 2.308 . . . . 1.0 112.105 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 23.5 mt 62.4 -126.03 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.551 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 69.22 33.44 73.57 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -139.11 161.65 56.59 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.37 . . . . 1.0 110.603 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -45.84 156.45 0.44 Allowed 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.861 2.374 . . . . 1.0 112.156 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.9 tp -69.5 -9.31 53.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.425 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -133.34 168.44 18.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.455 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.417 HH22 ' CGD' ' A' ' 301' ' ' CYC . 0.4 OUTLIER -130.54 115.99 17.25 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.658 -179.36 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -80.27 144.66 16.52 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.781 2.32 . . . . 1.0 111.965 178.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 23.6 m -127.59 135.11 64.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.544 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.523 ' OD2' HBD2 ' A' ' 301' ' ' CYC . 0.3 OUTLIER -46.87 160.12 0.34 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.478 179.481 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.93 -12.59 2.1 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.861 2.374 . . . . 1.0 111.884 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.427 ' SG ' ' CHD' ' A' ' 301' ' ' CYC . 0.0 OUTLIER -60.06 -47.61 85.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.395 179.526 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.55 ' ND1' ' C ' ' A' ' 139' ' ' HIS . 1.3 t-80 -82.56 -27.73 31.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.292 -177.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 88.5 t -54.7 -63.12 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.493 -179.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -64.58 -45.03 88.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.429 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -43.98 -44.96 7.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.501 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . 0.474 ' CD2' ' OG ' ' A' ' 151' ' ' SER . 1.8 mp -72.05 -48.52 43.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.383 178.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -54.33 -42.51 70.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.446 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.5 m -53.21 -25.24 13.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.547 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 37.7 mtt -93.03 -3.06 55.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.409 178.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 69.74 23.72 76.66 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.482 ' O ' ' CG1' ' A' ' 148' ' ' VAL . 5.4 p -109.99 123.59 66.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.78 0.324 . . . . 1.0 110.659 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -94.53 -25.85 16.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.243 -179.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 32.3 t -103.43 138.02 40.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.099 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.474 ' OG ' ' CD2' ' A' ' 143' ' ' LEU . 0.0 OUTLIER -143.29 118.93 10.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.941 0.4 . . . . 1.0 111.04 179.622 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 59.1 tp -116.78 133.82 55.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.02 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.96 152.05 21.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.117 0.484 . . . . 1.0 111.213 -178.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.402 HG23 HH21 ' A' ' 101' ' ' ARG . 66.9 t -152.41 75.18 7.24 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 115.724 -0.671 . . . . 1.0 109.924 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -53.63 151.06 26.09 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.897 2.398 . . . . 1.0 112.669 -176.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 42.1 mt -117.63 96.35 5.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.833 -0.621 . . . . 1.0 110.21 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 19.7 ptm -118.14 137.89 52.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.775 -178.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . 0.627 ' ND1' ' CD2' ' A' ' 159' ' ' HIS . 6.9 t-80 -117.59 135.08 54.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.376 177.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.627 ' CD2' ' ND1' ' A' ' 158' ' ' HIS . 84.8 m-70 65.76 -115.7 0.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.311 -178.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -119.57 4.55 11.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.448 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -117.11 165.39 13.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.518 . . . . 1.0 110.616 -177.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 19.5 tp -107.4 122.49 46.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.474 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -99.89 -37.19 9.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.882 -177.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -150.59 -178.39 25.41 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.196 -0.762 . . . . 1.0 111.196 -178.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.2 tp -147.14 144.73 29.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.772 0.32 . . . . 1.0 110.412 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 13.9 tp -117.7 141.93 47.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.586 178.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 20.6 t -148.57 133.96 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.702 -177.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 16.9 m -118.25 145.67 44.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.383 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . 0.651 ' ND1' ' N ' ' A' ' 169' ' ' HIS . 0.0 OUTLIER -140.8 133.64 29.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.776 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . 0.724 ' CD2' ' N ' ' A' ' 171' ' ' ALA . 21.1 t60 -169.93 163.73 9.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.506 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.724 ' N ' ' CD2' ' A' ' 170' ' ' HIS . . . -52.01 -171.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.596 178.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -121.78 79.29 40.14 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.651 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -83.83 -48.14 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.848 2.365 . . . . 1.0 112.107 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 76.2 mtm180 -146.37 151.84 44.75 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.494 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -68.26 176.25 5.79 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.807 2.338 . . . . 1.0 112.091 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . 0.482 ' OH ' ' CG2' ' A' ' 102' ' ' VAL . 21.3 p90 -117.34 135.84 53.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.611 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 54.3 p -86.01 143.54 28.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.535 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . 0.412 ' CD ' ' N ' ' A' ' 178' ' ' GLN . 27.4 mp0 -67.06 -36.9 83.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.497 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -58.89 -47.35 85.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.494 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.93 -32.96 70.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.459 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 25.3 tp -56.03 -45.44 79.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.406 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 185' ' ' GLN . 26.1 mt-30 -60.11 -53.03 62.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.285 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 81.0 t -42.1 -42.74 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.132 178.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 85.2 t -74.5 -37.6 44.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.176 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 182' ' ' GLN . 61.2 tt0 -48.47 -39.18 22.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.048 178.183 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 27.8 tp -72.06 -34.02 68.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.049 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 22.4 tp -56.38 -30.53 62.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.128 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -71.97 -38.04 69.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.095 178.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -56.48 -40.95 75.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.163 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -53.46 -55.59 24.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.138 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 84.3 t -56.84 -41.71 76.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.089 178.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 3.8 t -49.44 -34.5 16.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.179 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.5 mp -78.97 -33.98 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.15 178.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -70.85 -46.91 61.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.245 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 2.7 tp -65.28 -33.82 66.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.28 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -74.45 -54.99 6.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.3 179.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -62.14 -26.06 68.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.386 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -73.43 -39.58 64.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.413 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -53.28 -36.77 61.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.366 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 40.5 tp -64.58 -56.68 12.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.523 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 19.3 m -63.63 -50.11 70.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.531 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 31.4 mt . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.025 -0.988 . . . . 1.0 110.499 -179.903 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 301' ' ' CYC . . . . . 0.523 HBD2 ' OD2' ' A' ' 136' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 tp . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.785 0.326 . . . . 1.0 110.518 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -54.24 -48.75 70.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.536 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -61.08 -46.08 92.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.582 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.542 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.4 mp -64.87 -32.07 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.626 -178.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.481 ' O ' HG22 ' A' ' 38' ' ' THR . 81.3 mt -78.61 -20.88 49.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.647 -178.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.464 ' O ' HG12 ' A' ' 39' ' ' VAL . 72.7 mtp180 -76.35 -33.3 58.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.615 178.178 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.91 -31.16 25.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.568 -178.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.536 ' CG2' ' N ' ' A' ' 39' ' ' VAL . 3.5 t -70.83 -44.34 66.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.596 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.536 ' N ' ' CG2' ' A' ' 38' ' ' THR . 5.1 p -55.21 -36.67 40.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.698 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -74.96 -34.77 62.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.559 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -66.24 -47.99 72.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.556 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.8 t -61.67 -54.39 35.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.544 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.553 ' O ' ' N ' ' A' ' 47' ' ' GLY . 4.9 tmm_? -47.77 -40.96 22.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.552 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.33 -37.67 81.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.581 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -76.53 -49.22 17.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.577 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.589 ' O ' ' N ' ' A' ' 48' ' ' THR . 10.9 mt -79.0 -3.39 44.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.542 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.553 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.41 20.32 0.03 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.589 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.5 m -71.89 139.41 48.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.872 0.368 . . . . 1.0 110.534 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.522 ' OD2' ' NH1' ' A' ' 73' ' ' ARG . 80.2 m-20 -48.21 -47.89 35.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.517 . . . . 1.0 110.605 -177.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 19.7 mtp-105 -138.22 132.32 31.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.001 0.429 . . . . 1.0 110.974 -176.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 t -142.96 131.72 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.86 -0.609 . . . . 1.0 109.753 176.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.1 pttt -142.66 157.3 44.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.099 0.476 . . . . 1.0 111.207 -178.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.9 p -102.97 139.74 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.66 -0.7 . . . . 1.0 109.873 177.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.53 ' CG ' HBB3 ' A' ' 301' ' ' CYC . 22.7 t80 -122.88 120.12 32.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 1.0 111.182 -177.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.489 ' HG3' ' H ' ' A' ' 56' ' ' PHE . 4.7 tpt180 -95.85 162.74 13.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.999 -0.546 . . . . 1.0 109.898 179.257 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.535 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 85.5 t80 -129.81 145.02 51.58 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.722 -0.391 . . . . 1.0 110.903 -178.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.535 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 24.8 m-20 -114.05 148.42 39.97 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.281 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.61 -23.87 76.92 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.685 2.257 . . . . 1.0 112.05 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -78.27 -4.93 50.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.36 -179.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.33 21.52 29.44 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.766 -0.933 . . . . 1.0 110.766 179.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.404 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 90.7 m-70 -116.81 140.29 49.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.803 0.335 . . . . 1.0 110.715 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -132.8 154.88 21.33 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.572 -1.011 . . . . 1.0 110.572 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 76.4 p -139.1 158.26 44.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.745 0.307 . . . . 1.0 110.763 -178.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.1 t -101.57 117.04 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.181 176.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.6 m -106.88 1.89 10.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.817 -176.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -158.09 148.66 20.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.935 0.398 . . . . 1.0 110.895 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -166.68 127.19 1.61 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.261 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -122.64 120.38 33.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 1.0 110.763 178.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.502 ' HA ' ' O ' ' A' ' 49' ' ' ASP . 42.9 ptt85 -112.04 143.09 43.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.495 -178.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -94.7 -78.94 1.43 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.867 -0.893 . . . . 1.0 110.867 179.037 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.44 -117.58 0.53 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.776 -0.93 . . . . 1.0 110.776 178.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -179.3 50.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.831 0.348 . . . . 1.0 110.593 178.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.522 ' NH1' ' OD2' ' A' ' 49' ' ' ASP . 3.1 ptp85 -85.75 -16.46 38.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.514 177.008 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.9 mt -138.4 149.29 62.52 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.512 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.81 173.16 8.51 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.758 2.305 . . . . 1.0 112.139 -178.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.3 t -94.59 135.69 35.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.753 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.1 mt -106.82 0.85 24.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.497 -179.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 68.9 tp -55.6 137.09 49.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.545 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.51 0.53 79.24 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.876 -0.89 . . . . 1.0 110.876 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.2 tp -90.5 130.57 36.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.768 0.318 . . . . 1.0 110.551 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.1 t -100.83 129.35 46.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.635 177.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -96.88 143.35 25.96 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.565 -178.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -80.96 145.51 15.7 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.757 2.305 . . . . 1.0 112.182 178.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.7 -43.81 76.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.616 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.6 -24.31 7.55 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -52.72 -21.2 3.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 1.0 110.593 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.587 ' CD1' HH21 ' A' ' 92' ' ' ARG . 26.9 pt -135.39 144.6 50.24 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.472 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.52 -99.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.838 2.359 . . . . 1.0 112.162 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -166.1 -45.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.603 179.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -51.19 -38.28 51.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.568 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.93 -49.2 54.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.616 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.587 HH21 ' CD1' ' A' ' 87' ' ' ILE . 32.0 ttm180 -58.2 -31.56 67.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.58 -178.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -54.25 -44.86 72.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.467 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.654 ' O ' ' N ' ' A' ' 98' ' ' ALA . 8.8 mp -52.26 -37.9 56.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.503 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.697 ' CE1' HBA2 ' A' ' 301' ' ' CYC . 13.0 m-85 -58.27 -21.1 47.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.713 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 53.5 mtp85 -95.03 -33.99 12.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.726 -177.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.464 ' CD1' ' N ' ' A' ' 97' ' ' LEU . 9.0 mp -105.98 -37.71 6.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.197 -176.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.654 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -84.36 -35.05 23.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.448 -176.474 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.617 ' NE2' ' SD ' ' A' ' 157' ' ' MET . 85.0 mt-30 33.68 58.0 0.55 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 101' ' ' ARG . 5.3 t -145.36 -50.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.809 178.22 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.771 ' HE ' ' H ' ' A' ' 101' ' ' ARG . 4.1 mmp_? 50.44 98.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.29 174.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 69.9 t -153.42 124.29 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.597 177.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.488 ' CD1' ' N ' ' A' ' 103' ' ' ILE . 1.7 mp -101.2 132.21 47.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.729 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.8 t -85.15 170.82 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.298 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.516 ' N ' ' OD1' ' A' ' 105' ' ' ASP . 0.6 OUTLIER -60.67 116.95 4.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.466 -178.755 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -52.05 -12.23 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.571 179.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.721 ' C ' ' H ' ' A' ' 109' ' ' GLN . 3.9 pt-20 -92.34 -28.2 17.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.263 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.517 ' O ' ' HB2' ' A' ' 109' ' ' GLN . . . -62.17 21.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.35 178.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.721 ' H ' ' C ' ' A' ' 107' ' ' GLU . 79.8 mt-30 74.28 48.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.683 178.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.507 ' HG ' ' H ' ' A' ' 135' ' ' VAL . 2.6 t -87.49 119.87 28.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.374 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -155.29 110.37 3.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 135' ' ' VAL . 39.3 t -102.71 146.1 28.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.993 -0.548 . . . . 1.0 110.22 179.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 9.0 mt -146.75 151.49 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.757 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.1 p -78.35 169.15 18.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.63 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.473 ' N ' ' CD ' ' A' ' 115' ' ' GLN . 0.4 OUTLIER -146.82 153.4 46.22 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.519 -179.828 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -70.22 -9.71 26.57 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.92 2.413 . . . . 1.0 112.192 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.6 tp10 -79.09 140.81 37.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.647 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.2 t -71.69 155.42 40.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.621 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.493 ' CD1' ' N ' ' A' ' 119' ' ' TRP . 5.6 m0 -70.95 137.35 49.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.565 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -105.95 87.97 0.54 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 36.5 mt -91.47 141.82 28.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 1.0 110.526 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.8 t -93.34 154.39 18.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.512 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.554 ' O ' ' HB2' ' A' ' 124' ' ' ARG . . . -56.49 -39.38 73.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.543 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.554 ' HB2' ' O ' ' A' ' 123' ' ' ALA . 55.6 ttt180 164.67 91.67 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.549 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 95.2 t -120.6 106.72 39.51 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.542 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -45.74 125.68 8.21 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.774 2.316 . . . . 1.0 112.07 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.481 ' CD1' ' N ' ' A' ' 127' ' ' LEU . 9.5 mp 49.18 -166.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.611 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 96.64 -14.13 64.52 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.871 -0.892 . . . . 1.0 110.871 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.43 ' N ' ' OE1' ' A' ' 129' ' ' GLU . 8.0 mp0 -72.7 159.36 85.54 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.996 0.427 . . . . 1.0 110.571 179.416 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -48.25 136.08 24.98 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.894 2.396 . . . . 1.0 112.127 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 49.4 mt -69.45 -29.8 67.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.442 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -130.24 166.19 20.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.42 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.574 HH21 ' NH1' ' A' ' 101' ' ' ARG . 8.4 ttm180 -133.62 94.18 19.79 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.698 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -48.78 147.06 10.45 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.81 2.34 . . . . 1.0 111.94 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.507 ' H ' ' HG ' ' A' ' 110' ' ' SER . 21.2 m -98.89 152.03 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.486 -178.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.586 ' OD2' HMD3 ' A' ' 301' ' ' CYC . 0.3 OUTLIER -94.82 154.82 39.77 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.482 179.482 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -43.87 -32.13 4.15 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.839 2.359 . . . . 1.0 111.886 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.517 ' SG ' ' CHD' ' A' ' 301' ' ' CYC . 0.1 OUTLIER -73.71 -30.9 63.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.348 178.506 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.488 ' N ' ' O ' ' A' ' 136' ' ' ASP . 5.6 t-80 -86.48 -34.59 20.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.274 177.401 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 79.1 t -48.26 -45.84 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.505 178.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.516 ' O ' ' N ' ' A' ' 145' ' ' SER . 84.4 t60 -68.17 -40.86 82.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.44 178.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -47.79 -59.42 3.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.486 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.28 -49.96 56.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.441 -179.29 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 147' ' ' GLY . 19.7 tptm -56.01 -40.81 73.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.491 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 141' ' ' HIS . 33.8 t -52.72 -29.51 27.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.509 178.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 46.6 mtt -87.77 -1.03 57.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.409 178.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 144' ' ' LYS . . . 72.77 22.42 79.06 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.401 HG12 ' H ' ' A' ' 170' ' ' HIS . 23.8 t -105.49 113.64 42.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.777 0.322 . . . . 1.0 110.729 179.226 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -79.24 -26.86 42.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.275 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.512 ' O ' ' CD2' ' A' ' 170' ' ' HIS . 29.5 t -148.4 116.66 6.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.161 -179.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 168' ' ' SER . 12.1 t -108.25 133.31 52.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 1.0 111.053 178.297 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 36.3 tp -97.63 126.43 42.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.01 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.512 HG22 ' O ' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -122.19 154.91 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.044 0.45 . . . . 1.0 111.158 -179.019 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.413 ' CG2' ' C ' ' A' ' 153' ' ' VAL . 0.9 OUTLIER -151.0 111.47 3.09 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.646 -0.706 . . . . 1.0 109.927 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -72.57 131.26 17.14 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.944 2.429 . . . . 1.0 112.688 -172.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 16.9 mt -103.5 94.63 5.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.16 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.617 ' SD ' ' NE2' ' A' ' 99' ' ' GLN . 16.2 ptm -116.06 136.31 53.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.767 -177.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . 0.498 ' CE1' ' CB ' ' A' ' 196' ' ' ALA . 31.1 t60 -115.85 122.25 44.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.424 176.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.442 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 16.0 t60 71.25 -110.8 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.353 -177.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -121.96 3.23 9.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.423 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.481 ' CG ' ' N ' ' A' ' 162' ' ' LEU . 47.9 tt0 -115.03 159.17 21.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.551 -177.096 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . 0.481 ' N ' ' CG ' ' A' ' 161' ' ' GLU . 11.3 mt -104.79 127.57 52.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.492 178.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -106.67 -41.17 5.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.872 -177.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -146.15 -179.92 22.69 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.209 -0.756 . . . . 1.0 111.209 -177.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 35.3 tp -149.63 135.86 19.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.693 0.282 . . . . 1.0 110.45 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 33.1 tp -100.47 142.89 31.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.578 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 10.8 p -148.03 138.44 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.715 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.414 ' O ' ' OG ' ' A' ' 151' ' ' SER . 0.0 OUTLIER -124.33 145.35 49.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.409 178.583 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -120.96 129.47 53.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.759 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . 0.512 ' CD2' ' O ' ' A' ' 150' ' ' SER . 4.6 p80 -166.99 161.09 14.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.502 179.284 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -65.06 -154.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.609 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . 0.43 ' OE2' ' OE1' ' A' ' 107' ' ' GLU . 4.2 pt-20 -120.9 80.52 33.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.581 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.94 -59.2 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.845 2.363 . . . . 1.0 112.068 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -154.93 151.74 23.86 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.459 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -49.42 168.57 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.789 2.326 . . . . 1.0 112.064 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -111.12 122.21 47.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.562 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 26.2 t -70.3 138.12 51.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.589 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -66.24 -35.32 80.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.481 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.32 -55.25 22.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.476 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -64.61 -31.47 72.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.358 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 26.5 tp -59.02 -41.43 87.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.447 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -59.14 -48.69 80.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.356 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 55.7 t -43.66 -50.09 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.149 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 187' ' ' LEU . 96.2 t -72.98 -39.33 57.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.188 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 -46.47 -38.95 9.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.068 178.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 27.2 tp -73.16 -34.23 65.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.027 178.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 184' ' ' VAL . 25.6 tp -56.1 -33.03 64.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.036 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -71.56 -35.17 70.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.106 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -59.14 -40.51 85.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.172 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -54.17 -56.33 19.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.208 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 92.5 t -55.58 -44.87 78.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.155 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 7.8 t -49.17 -33.98 13.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.153 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 69.1 mt -81.28 -36.31 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.157 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -64.72 -45.98 84.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.264 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 2.4 pp -68.1 -26.7 34.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.295 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . 0.498 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.12 -56.28 4.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.342 178.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -59.99 -25.34 65.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.356 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -74.15 -38.06 63.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.465 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -51.55 -37.23 48.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.387 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 41.4 mt -57.89 -57.55 12.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.476 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 84.1 p -50.51 -40.75 52.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.513 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 26.7 mt . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.988 -1.006 . . . . 1.0 110.618 179.68 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 301' ' ' CYC . . . . . 0.697 HBA2 ' CE1' ' A' ' 95' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.796 0.331 . . . . 1.0 110.563 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -55.71 -37.96 69.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.538 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -74.13 -54.1 8.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.543 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.437 HD12 HG21 ' A' ' 34' ' ' ILE . 31.7 mm -53.05 -48.26 53.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.559 -178.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.497 ' O ' ' OG1' ' A' ' 38' ' ' THR . 88.3 mt -61.63 -28.0 69.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.616 -177.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.534 ' NH1' ' OE2' ' A' ' 40' ' ' GLU . 0.4 OUTLIER -55.31 -40.63 71.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.59 179.382 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.63 -29.51 51.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.639 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.64 ' HG1' ' N ' ' A' ' 39' ' ' VAL . 44.4 p -66.66 -46.01 77.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.633 178.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.64 ' N ' ' HG1' ' A' ' 38' ' ' THR . 86.7 t -56.37 -38.89 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.698 178.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.534 ' OE2' ' NH1' ' A' ' 36' ' ' ARG . 98.1 mt-10 -75.38 -38.22 60.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.538 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.403 ' C ' ' OE1' ' A' ' 41' ' ' GLU . 14.8 tm-20 -59.71 -48.24 82.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.508 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.9 t -63.2 -43.34 98.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.502 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 47' ' ' GLY . 54.4 ttp85 -47.85 -45.79 30.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.503 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.54 -40.76 95.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.567 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -72.61 -54.3 9.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.577 -178.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.592 ' O ' ' N ' ' A' ' 48' ' ' THR . 92.0 mt -78.75 0.85 25.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.58 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.34 20.44 0.03 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 178.042 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.592 ' N ' ' O ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -74.84 139.63 43.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 1.0 110.52 179.582 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 70' ' ' GLY . 89.7 m-20 -66.11 -29.96 70.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.678 -176.25 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.675 ' NE ' HH12 ' A' ' 69' ' ' ARG . 4.1 ttt180 -137.9 126.56 23.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.984 -175.401 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.431 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 0.0 OUTLIER -148.89 132.15 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.858 -0.61 . . . . 1.0 109.784 175.89 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -144.14 153.12 41.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.929 0.395 . . . . 1.0 111.333 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.8 p -99.02 136.5 29.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.789 -0.641 . . . . 1.0 109.819 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -118.48 118.88 32.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.892 0.377 . . . . 1.0 111.186 -178.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -94.45 162.35 13.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.0 -0.545 . . . . 1.0 109.941 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -130.41 144.85 51.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.936 0.398 . . . . 1.0 110.879 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.487 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 2.2 m-20 -115.86 136.25 22.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.248 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -46.05 -28.17 5.03 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.733 2.289 . . . . 1.0 112.103 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -74.9 -8.3 56.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.388 -178.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.25 21.13 23.43 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.817 -0.913 . . . . 1.0 110.817 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.471 ' O ' ' N ' ' A' ' 57' ' ' ASP . 77.3 m80 -116.36 139.94 49.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.892 0.377 . . . . 1.0 110.697 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -130.92 152.05 19.81 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.589 -1.004 . . . . 1.0 110.589 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 81.8 p -136.24 156.56 48.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.766 0.317 . . . . 1.0 110.853 -178.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.6 t -100.72 115.22 41.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.282 176.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.9 m -104.38 2.46 10.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.787 -175.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -160.76 149.82 16.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.945 0.402 . . . . 1.0 110.884 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.41 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 88.9 tt0 -168.28 128.27 1.26 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.261 -179.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -126.16 128.82 47.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.848 178.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.703 ' NH2' ' H ' ' A' ' 74' ' ' LEU . 40.8 mtp85 -110.5 141.8 43.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.475 -179.211 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -91.66 -107.42 1.54 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -58.96 -11.07 9.96 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.741 -0.944 . . . . 1.0 110.741 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 69.35 63.33 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.353 . . . . 1.0 110.575 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.544 ' NH1' ' N ' ' A' ' 171' ' ' ALA . 5.3 ptm180 -87.37 -53.91 4.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.55 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.703 ' H ' ' NH2' ' A' ' 69' ' ' ARG . 6.8 mt -96.81 169.6 8.54 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.479 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.547 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 2.6 Cg_exo -77.47 175.48 11.24 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.766 2.31 . . . . 1.0 112.1 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 55.8 p -90.51 133.31 35.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.68 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.5 mt -104.99 -9.4 17.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.433 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.41 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 16.2 tp -49.17 137.38 13.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.548 -178.075 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.77 -1.2 71.07 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.904 -0.878 . . . . 1.0 110.904 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 94.9 mt -99.09 133.57 43.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.772 0.32 . . . . 1.0 110.576 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.23 122.61 36.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.627 178.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -98.03 140.77 22.12 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.533 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.73 144.85 25.19 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 122.808 2.339 . . . . 1.0 112.185 178.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.05 -32.48 74.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.667 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.63 -21.6 3.44 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.964 -0.854 . . . . 1.0 110.964 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.02 -32.89 71.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.839 0.352 . . . . 1.0 110.602 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.501 ' O ' ' O ' ' A' ' 88' ' ' PRO . 1.8 pt -120.64 94.6 48.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.514 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.501 ' O ' ' O ' ' A' ' 87' ' ' ILE . 92.5 Cg_exo -40.49 -106.26 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.783 2.322 . . . . 1.0 112.237 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -162.7 -51.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.561 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -47.8 -37.55 13.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.549 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.443 ' HB1' HBD2 ' A' ' 301' ' ' CYC . . . -67.68 -37.66 82.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.635 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 65.6 mtm180 -69.61 -24.8 63.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.534 -179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 97' ' ' LEU . 90.4 mtt-85 -57.53 -54.85 42.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.547 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.594 ' O ' ' N ' ' A' ' 98' ' ' ALA . 17.2 mt -52.49 -37.53 57.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.491 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.412 ' CE2' ' HA ' ' A' ' 101' ' ' ARG . 6.2 m-85 -65.58 -34.3 77.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.717 178.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 66.8 mtm180 -89.82 -20.95 22.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.62 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 93' ' ' ARG . 9.4 mp -102.99 -50.33 3.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.249 -177.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.594 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -97.44 -12.98 22.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.411 -176.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.507 ' C ' ' O ' ' A' ' 98' ' ' ALA . 87.0 mt-30 32.75 61.02 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.319 178.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.44 ' CG2' ' H ' ' A' ' 101' ' ' ARG . 34.7 m -104.93 -48.95 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.836 176.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.547 HH21 ' CG2' ' A' ' 154' ' ' VAL . 0.0 OUTLIER 54.23 58.32 5.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.242 172.459 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.465 ' CG1' ' OH ' ' A' ' 176' ' ' TYR . 27.0 t -148.85 125.27 2.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.552 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.496 ' CD1' ' N ' ' A' ' 103' ' ' ILE . 2.2 mp -107.34 132.97 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.712 177.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 2.5 m -82.75 169.04 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.342 -178.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.465 ' C ' ' H ' ' A' ' 107' ' ' GLU . 9.0 m-20 -53.97 120.61 6.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.468 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.1 p -51.93 -11.78 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.551 179.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.725 ' C ' ' H ' ' A' ' 109' ' ' GLN . 6.3 pt-20 -95.8 -26.34 15.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.366 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.484 ' O ' ' HB2' ' A' ' 109' ' ' GLN . . . -62.84 23.45 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.725 ' H ' ' C ' ' A' ' 107' ' ' GLU . 77.8 mt-30 73.02 49.61 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.73 177.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 38.7 m -86.48 117.38 25.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.386 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -155.86 120.14 4.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.787 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.603 ' OG ' ' N ' ' A' ' 136' ' ' ASP . 1.0 OUTLIER -116.3 155.48 28.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.192 178.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 114' ' ' SER . 10.9 tp -154.27 157.71 4.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.754 -179.421 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.472 ' N ' HG13 ' A' ' 113' ' ' ILE . 54.4 p -75.41 163.52 27.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.697 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -172.78 76.52 0.43 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.469 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -79.11 73.67 5.91 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.891 2.394 . . . . 1.0 112.208 -179.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -160.9 -26.05 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.598 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 81.0 p -148.91 168.93 21.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.619 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.471 ' CD1' ' O ' ' A' ' 119' ' ' TRP . 76.4 t-105 54.18 58.32 5.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.522 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.505 ' O ' ' O ' ' A' ' 121' ' ' LEU . . . -78.27 27.9 2.04 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.505 ' O ' ' O ' ' A' ' 120' ' ' GLY . 10.0 mp 57.18 128.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.331 . . . . 1.0 110.588 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 35.9 t -73.55 157.69 36.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.469 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.607 ' O ' ' HB2' ' A' ' 124' ' ' ARG . . . -59.83 -23.95 63.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.515 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . 0.607 ' HB2' ' O ' ' A' ' 123' ' ' ALA . 53.5 ttp85 159.93 85.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.573 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 8.2 p -97.73 132.45 24.99 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.561 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.73 126.6 12.18 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.845 2.363 . . . . 1.0 112.06 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.41 ' C ' ' N ' ' A' ' 129' ' ' GLU . 20.4 mt 56.09 -131.32 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.575 -178.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 51.41 14.45 1.48 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.903 -0.879 . . . . 1.0 110.903 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 127' ' ' LEU . 33.2 mt-10 -102.54 150.08 37.31 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 1.0 110.613 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.418 ' CG ' ' NH1' ' A' ' 133' ' ' ARG . 42.4 Cg_endo -68.09 161.81 42.76 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.872 2.381 . . . . 1.0 112.169 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.485 ' CD1' ' N ' ' A' ' 131' ' ' LEU . 8.7 mp -80.01 -14.98 58.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.454 -179.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -133.11 168.6 18.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.453 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.484 HH21 ' CB ' ' A' ' 98' ' ' ALA . 23.8 mmt180 -136.08 123.76 14.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.649 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -79.39 141.25 15.82 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.749 2.299 . . . . 1.0 112.013 177.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 2.2 t -123.54 132.25 71.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.549 -179.024 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.603 ' N ' ' OG ' ' A' ' 112' ' ' SER . 3.2 m-20 -42.95 158.74 0.22 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.442 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -50.38 -10.88 0.28 Allowed 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.868 2.378 . . . . 1.0 111.834 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.44 ' SG ' ' CHD' ' A' ' 301' ' ' CYC . 1.1 m -58.18 -47.9 81.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.361 178.115 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -32.46 67.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.267 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 76.6 t -53.79 -63.06 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.468 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 145' ' ' SER . 84.4 t60 -69.26 -48.84 60.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.381 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . 0.533 ' CZ ' ' CE ' ' A' ' 146' ' ' MET . 76.9 t80 -48.16 -53.6 16.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.502 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.7 tp -67.95 -50.0 58.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.41 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 147' ' ' GLY . 24.5 tptp -56.63 -41.38 77.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.424 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.523 ' OG ' ' O ' ' A' ' 142' ' ' TYR . 74.8 p -52.27 -26.4 11.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.502 179.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.533 ' CE ' ' CZ ' ' A' ' 142' ' ' TYR . 5.8 mtt -90.84 -0.65 57.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.422 177.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 144' ' ' LYS . . . 70.97 22.92 78.48 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.443 HG12 ' N ' ' A' ' 170' ' ' HIS . 14.6 t -110.7 121.0 62.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.796 0.331 . . . . 1.0 110.67 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -93.66 -22.97 18.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.291 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 47.4 t -106.86 137.95 43.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.126 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 2.4 p -141.86 105.0 4.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.938 0.399 . . . . 1.0 111.032 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 28.0 tp -103.88 119.91 39.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.933 -0.576 . . . . 1.0 109.996 177.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.458 ' CG2' ' N ' ' A' ' 154' ' ' VAL . 2.2 p -115.97 155.85 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.054 0.454 . . . . 1.0 111.247 -177.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.547 ' CG2' HH21 ' A' ' 101' ' ' ARG . 7.0 p -160.6 100.64 1.34 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.765 -0.652 . . . . 1.0 109.934 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . 0.402 ' CD ' ' HG2' ' A' ' 101' ' ' ARG . 48.3 Cg_endo -68.88 156.59 64.9 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.838 2.359 . . . . 1.0 112.736 -175.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 26.3 mt -118.15 95.72 5.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.233 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 21.2 ptm -115.13 138.82 50.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.744 -178.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . 0.417 ' CE1' ' CB ' ' A' ' 196' ' ' ALA . 71.3 t60 -113.33 124.38 52.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.389 177.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.406 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 80.2 t60 65.82 -106.79 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.412 -178.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . 0.614 ' O ' ' NE2' ' A' ' 160' ' ' GLN . 35.6 tp60 -120.95 -1.23 9.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.409 -178.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -113.14 156.66 22.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.611 -176.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 6.1 tt -107.47 125.52 51.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.448 178.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -100.32 -39.87 7.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.833 -177.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -149.05 -178.21 23.88 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.228 -0.749 . . . . 1.0 111.228 -177.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 5.1 tp -144.71 132.7 21.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.699 0.285 . . . . 1.0 110.475 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 18.7 tp -105.34 150.55 25.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.587 178.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 9.4 p -153.04 147.02 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.699 -178.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.507 ' O ' ' ND1' ' A' ' 169' ' ' HIS . 24.5 t -127.43 141.56 51.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.321 178.304 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . 0.507 ' ND1' ' O ' ' A' ' 168' ' ' SER . 11.7 m-70 -139.93 135.13 32.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.739 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . 0.525 ' ND1' ' OG1' ' A' ' 48' ' ' THR . 2.1 p-80 -170.87 167.16 7.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.457 -179.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.544 ' N ' ' NH1' ' A' ' 73' ' ' ARG . . . -53.91 -169.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.581 179.132 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -117.62 81.78 15.12 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.577 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -84.37 -56.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.836 2.358 . . . . 1.0 112.122 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -146.8 153.13 45.98 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.498 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -65.28 176.67 3.08 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.771 2.314 . . . . 1.0 112.069 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . 0.487 ' CD1' ' O ' ' A' ' 176' ' ' TYR . 30.1 p90 -117.66 134.7 54.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.663 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 57.8 m -85.74 144.39 27.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.534 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -66.72 -35.83 81.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.491 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -60.95 -48.98 79.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.509 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -70.11 -31.23 68.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.475 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 29.4 tp -56.45 -35.74 68.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.43 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -70.58 -50.42 37.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.364 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 62.0 t -43.8 -49.21 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.124 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 187' ' ' LEU . 5.8 p -73.78 -37.6 49.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.209 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -45.85 -37.63 6.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.134 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 61.7 mt -70.11 -36.21 74.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.088 177.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 184' ' ' VAL . 1.4 tt -55.4 -33.37 63.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.038 -0.528 . . . . 1.0 109.999 178.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -74.41 -37.57 63.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.074 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -56.16 -38.97 71.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.148 178.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . 0.454 ' O ' ' CG2' ' A' ' 193' ' ' ILE . 94.5 mt-30 -54.71 -48.51 72.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.133 179.147 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 59.9 t -60.58 -45.35 97.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.144 178.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 16.5 m -49.95 -46.67 52.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.101 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . 0.454 ' CG2' ' O ' ' A' ' 190' ' ' GLN . 13.3 tt -77.79 -27.19 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.147 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -67.76 -45.54 74.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.233 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 17.7 pt -71.78 -20.92 20.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.276 179.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . 0.417 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -76.12 -56.37 4.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.282 178.143 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -61.49 -24.22 66.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.366 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -73.32 -38.18 65.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.471 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -53.22 -37.78 62.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.424 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . 0.401 ' CD2' ' C ' ' A' ' 200' ' ' LEU . 3.1 tt -59.53 -60.46 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.477 -179.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 18.8 m -57.1 -44.63 83.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.488 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . 0.456 ' CD1' ' N ' ' A' ' 202' ' ' LEU . 10.0 mp . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 118.035 -0.983 . . . . 1.0 110.557 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 301' ' ' CYC . . . . . 0.472 HBD1 ' HG2' ' A' ' 88' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.2 tp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.793 0.33 . . . . 1.0 110.624 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -56.48 -36.45 69.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.611 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -73.25 -53.34 11.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.584 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.489 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.6 mp -50.91 -54.58 9.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.603 -178.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.513 ' O ' ' OG1' ' A' ' 38' ' ' THR . 73.4 mt -57.9 -31.66 66.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.615 -177.559 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -51.04 -39.93 57.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.573 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.25 -27.64 38.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.602 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.513 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 43.4 p -67.39 -43.76 80.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.688 178.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 57.9 t -58.94 -39.64 78.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.654 178.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -73.69 -45.45 52.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.582 179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -58.15 -49.31 77.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.532 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.0 t -60.61 -45.45 97.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.428 179.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' A' ' 47' ' ' GLY . 41.2 ttp180 -48.32 -44.06 33.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.515 179.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.02 -41.01 95.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.541 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -71.85 -52.53 16.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.578 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.573 ' O ' ' N ' ' A' ' 48' ' ' THR . 66.0 mt -79.77 1.84 25.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.519 178.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.15 21.39 0.03 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.992 -0.843 . . . . 1.0 110.992 178.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.573 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.4 m -72.57 136.76 45.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.815 0.341 . . . . 1.0 110.615 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.535 ' O ' ' N ' ' A' ' 70' ' ' GLY . 4.3 p30 -69.26 -26.67 64.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.579 -177.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.568 ' NH2' ' OE2' ' A' ' 67' ' ' GLU . 26.1 ttt-85 -143.01 120.35 11.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.965 0.412 . . . . 1.0 111.003 -177.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.4 p -150.1 137.84 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.837 -0.62 . . . . 1.0 109.807 177.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.412 ' NZ ' HAB1 ' A' ' 301' ' ' CYC . 33.8 pttt -145.78 164.98 30.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.003 0.43 . . . . 1.0 111.235 -179.213 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.9 p -110.26 138.37 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.774 -0.648 . . . . 1.0 109.871 178.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -120.8 119.68 33.4 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.802 -0.359 . . . . 1.0 111.218 -178.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -94.36 163.1 13.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.009 -0.541 . . . . 1.0 109.875 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.531 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 70.8 t80 -130.03 145.38 51.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.04 0.448 . . . . 1.0 110.817 -178.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.531 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 8.1 m-20 -114.51 147.59 38.41 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.309 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.92 -24.2 71.61 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.683 2.256 . . . . 1.0 112.037 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -77.94 -1.26 31.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.42 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.27 22.08 36.14 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.811 -0.916 . . . . 1.0 110.811 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.518 ' O ' ' N ' ' A' ' 57' ' ' ASP . 76.1 m80 -119.54 143.57 47.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.811 0.339 . . . . 1.0 110.739 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -134.91 156.32 22.45 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.612 -0.995 . . . . 1.0 110.612 178.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.3 m -137.71 159.08 42.97 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.854 -0.339 . . . . 1.0 110.758 -178.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.7 t -98.44 111.29 27.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.135 175.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.4 m -99.43 1.96 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.825 -175.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -164.17 150.1 10.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.903 0.383 . . . . 1.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.568 ' OE2' ' NH2' ' A' ' 50' ' ' ARG . 42.1 tt0 -167.66 127.44 1.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.323 -179.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -123.38 136.28 54.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.839 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 49' ' ' ASP . 83.5 mtm180 -120.26 142.63 48.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.509 -179.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -94.77 -108.6 2.17 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.896 -0.882 . . . . 1.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -55.72 -5.55 0.91 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.841 -0.904 . . . . 1.0 110.841 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.512 ' H ' ' C ' ' A' ' 70' ' ' GLY . 68.2 tt0 64.94 58.04 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.75 0.31 . . . . 1.0 110.582 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.5 ' CZ ' ' OD2' ' A' ' 49' ' ' ASP . 16.5 ptp180 -86.02 -48.8 8.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.513 178.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.425 ' N ' ' CG ' ' A' ' 73' ' ' ARG . 11.9 mt -97.67 152.04 37.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.484 178.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -67.88 171.87 11.61 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.729 2.286 . . . . 1.0 112.111 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.4 p -88.2 128.1 35.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.669 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.9 mt -104.82 -11.52 16.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.475 -179.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.0 tp -41.05 136.52 1.49 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.519 -178.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.09 -1.79 78.04 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.847 -0.901 . . . . 1.0 110.847 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 28.2 tp -93.88 127.75 39.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.762 0.315 . . . . 1.0 110.561 -179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 24.6 p -91.23 120.78 32.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.594 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 36.3 m-85 -94.37 139.09 22.3 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.526 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.26 136.95 18.49 Favored 'Trans proline' 0 C--N 1.304 -1.81 0 C-N-CA 122.921 2.414 . . . . 1.0 112.204 178.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.93 -34.34 65.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.613 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.76 -22.35 4.18 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.027 -0.829 . . . . 1.0 111.027 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -60.29 -32.54 71.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.819 0.342 . . . . 1.0 110.628 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.582 ' O ' ' O ' ' A' ' 88' ' ' PRO . 23.4 mm -108.9 103.8 52.98 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.536 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.582 ' O ' ' O ' ' A' ' 87' ' ' ILE . 89.3 Cg_exo -46.42 -121.91 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.78 2.32 . . . . 1.0 112.198 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -158.96 -38.43 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.592 179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -64.85 -38.02 89.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.583 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.5 ' O ' ' CD1' ' A' ' 95' ' ' PHE . . . -63.96 -34.46 78.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.526 -179.277 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -69.85 -23.42 63.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.556 -178.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 21.1 mtp-105 -55.59 -57.07 13.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.472 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.634 ' O ' ' N ' ' A' ' 98' ' ' ALA . 58.8 mt -56.48 -33.59 66.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.474 -179.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.669 ' CZ ' ' NH1' ' A' ' 101' ' ' ARG . 3.2 m-85 -63.56 -29.93 71.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.721 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 94.6 mtm-85 -88.65 -23.23 23.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.72 -178.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.406 ' N ' ' CD1' ' A' ' 97' ' ' LEU . 9.9 mp -107.22 -43.27 4.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.22 -177.078 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.634 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -89.12 -31.89 17.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.45 -175.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 98' ' ' ALA . 94.2 mt-30 37.43 64.82 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.328 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.503 ' N ' ' HE ' ' A' ' 101' ' ' ARG . 2.0 m -120.97 -43.52 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.783 176.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.841 ' H ' ' CZ ' ' A' ' 101' ' ' ARG . 0.2 OUTLIER 57.48 66.69 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.309 173.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 8.0 p -146.74 124.71 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.591 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 1.7 mp -108.96 134.37 51.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.743 177.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.494 ' CG2' ' N ' ' A' ' 105' ' ' ASP . 12.6 p -80.41 169.59 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.313 -178.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.494 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 3.5 m-20 -48.16 119.29 2.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.397 -178.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.89 -11.14 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.523 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.588 ' C ' ' H ' ' A' ' 109' ' ' GLN . 4.3 pt-20 -84.82 -29.5 25.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.349 179.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.462 ' O ' ' CG ' ' A' ' 109' ' ' GLN . . . -57.22 -0.73 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.387 178.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.588 ' H ' ' C ' ' A' ' 107' ' ' GLU . 15.6 pt20 39.98 50.52 2.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.68 179.061 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 135' ' ' VAL . 53.8 p -89.95 135.31 33.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.424 174.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 77.0 mtm180 -120.54 138.78 53.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.849 -175.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.8 m -142.69 118.8 10.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.17 176.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 21.4 pt -120.0 -167.54 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.752 -179.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.1 p -75.0 173.6 10.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.66 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -128.75 79.23 74.8 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.5 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -77.01 -1.63 11.82 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.857 2.371 . . . . 1.0 112.156 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.27 -30.6 70.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.578 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 30.6 m -157.06 92.35 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.593 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 71.6 t-105 -86.56 138.6 31.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.626 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 121' ' ' LEU . . . 83.51 -179.63 52.44 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.915 -0.874 . . . . 1.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.454 ' O ' ' O ' ' A' ' 120' ' ' GLY . 30.1 tp 58.51 145.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 1.0 110.542 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.4 p 43.18 32.66 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.512 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.9 -50.96 68.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.502 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -102.0 86.67 2.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.568 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.8 m -111.18 112.76 54.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.554 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.431 ' O ' ' O ' ' A' ' 127' ' ' LEU . 83.2 Cg_exo -45.59 142.41 7.07 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.771 2.314 . . . . 1.0 112.146 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' A' ' 126' ' ' PRO . 27.3 mt 39.23 -160.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.566 -179.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 78.58 2.97 86.22 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.451 ' CD ' ' H ' ' A' ' 129' ' ' GLU . 0.1 OUTLIER -86.76 156.14 55.74 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.932 0.396 . . . . 1.0 110.598 179.792 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.64 143.66 75.61 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.943 2.429 . . . . 1.0 112.159 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.462 ' O ' ' NE2' ' A' ' 132' ' ' GLN . 43.3 mt -71.37 -15.82 62.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.398 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . 0.462 ' NE2' ' O ' ' A' ' 131' ' ' LEU . 94.7 mm-40 -134.64 160.02 39.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.45 -179.133 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.458 ' NH2' ' O1D' ' A' ' 301' ' ' CYC . 0.0 OUTLIER -122.7 84.21 48.96 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.623 179.334 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -49.39 149.66 9.13 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 122.78 2.32 . . . . 1.0 111.978 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.533 ' CG1' ' ND1' ' A' ' 139' ' ' HIS . 15.8 m -100.91 153.68 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.532 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.503 ' OD2' HAD2 ' A' ' 301' ' ' CYC . 0.0 OUTLIER -94.81 158.24 35.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.47 -178.353 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -47.39 -26.97 6.5 Favored 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.788 2.325 . . . . 1.0 111.928 -178.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.727 ' CA ' HBC3 ' A' ' 301' ' ' CYC . 0.1 OUTLIER -76.97 -37.84 54.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.386 178.352 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.533 ' ND1' ' CG1' ' A' ' 135' ' ' VAL . 52.0 t-80 -84.34 -43.01 15.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.232 -177.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.522 ' CG2' ' N ' ' A' ' 141' ' ' HIS . 3.1 m -47.34 -44.37 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.539 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.522 ' N ' ' CG2' ' A' ' 140' ' ' VAL . 83.5 t60 -64.79 -37.89 89.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.473 177.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -48.05 -54.38 13.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.457 178.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 86.4 mt -66.83 -51.15 59.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.355 179.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -57.25 -41.15 79.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.428 -179.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 141' ' ' HIS . 32.7 t -54.36 -28.15 41.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.5 178.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 43.7 mtt -91.84 0.89 57.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.522 177.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 69.84 23.82 76.7 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.915 -0.874 . . . . 1.0 110.915 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 6.3 t -108.03 115.56 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 1.0 110.668 179.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -82.24 -30.74 30.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.228 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 73.0 m -106.77 141.51 37.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.139 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 8.7 p -140.5 121.01 14.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.914 0.388 . . . . 1.0 111.137 -179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 64.8 tp -115.07 129.29 56.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.013 177.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.426 ' O ' ' CG2' ' A' ' 154' ' ' VAL . 2.9 p -117.69 155.7 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.07 0.462 . . . . 1.0 111.204 -177.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.521 ' O ' ' HB3' ' A' ' 166' ' ' LEU . 49.8 t -159.17 111.14 1.55 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.701 -0.682 . . . . 1.0 109.965 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -83.94 152.72 12.86 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 122.923 2.415 . . . . 1.0 112.735 -179.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 41.0 mt -117.79 96.72 5.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.211 178.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 19.5 ptm -119.64 137.36 53.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.762 -178.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . 0.513 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 35.7 t-80 -119.82 123.88 44.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.053 -0.522 . . . . 1.0 110.456 177.337 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.486 ' CB ' ' O ' ' A' ' 158' ' ' HIS . 23.7 t-80 79.01 -114.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.373 -178.248 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . 0.404 ' H ' ' HB3' ' A' ' 159' ' ' HIS . 13.1 pt20 -121.01 4.18 10.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.44 -179.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -117.77 162.0 18.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.588 -177.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 6.9 mp -105.34 124.02 48.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.463 177.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -100.22 -39.85 7.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.871 -177.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -148.48 -177.66 22.93 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.203 -0.759 . . . . 1.0 111.203 -178.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 3.6 tp -145.16 130.27 18.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.788 0.328 . . . . 1.0 110.456 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.521 ' HB3' ' O ' ' A' ' 154' ' ' VAL . 12.4 tp -105.93 140.73 38.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.606 177.406 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . 0.512 ' CG1' ' NE2' ' A' ' 169' ' ' HIS . 37.2 t -148.13 137.27 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.696 -176.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 1.1 p -123.85 142.22 51.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.428 178.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . 0.512 ' NE2' ' CG1' ' A' ' 167' ' ' VAL . 88.1 m-70 -139.51 142.73 37.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.766 -179.381 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . 0.549 ' ND1' ' OG1' ' A' ' 48' ' ' THR . 1.2 p-80 -172.67 168.59 5.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.474 -179.088 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -53.51 -174.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.61 178.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 55.2 tt0 -117.63 82.42 15.97 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.578 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -85.31 -35.24 0.16 Allowed 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.842 2.361 . . . . 1.0 112.098 179.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -160.64 154.0 18.48 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.456 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.73 179.56 2.59 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.764 2.309 . . . . 1.0 112.059 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -101.51 125.0 48.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.658 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 59.9 p -85.35 147.8 26.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.613 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -66.95 -35.53 80.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.457 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.3 -46.51 90.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.474 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -74.25 -31.99 62.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.432 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 20.1 tp -50.83 -52.67 39.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.397 -179.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -60.97 -51.89 67.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.273 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 93.9 t -43.11 -47.85 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.186 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 90.9 t -75.12 -35.67 35.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.147 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -50.4 -42.06 53.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.1 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 26.1 tp -73.22 -33.95 65.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.075 178.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 11.5 tp -57.14 -30.74 64.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.148 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -72.29 -39.17 68.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.082 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -58.2 -39.33 78.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.183 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -54.24 -56.64 16.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.181 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 95.2 t -56.33 -42.8 75.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.126 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 4.5 m -49.52 -33.6 15.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.098 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 70.0 mt -81.24 -33.97 13.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.062 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -69.21 -46.23 67.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.277 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 19.4 tt -64.18 -33.66 63.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.238 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . 0.513 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -75.75 -55.36 5.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.356 179.074 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -56.07 -25.99 47.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.431 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -75.63 -34.85 60.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.51 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -54.19 -39.67 66.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.42 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . 0.463 ' CD1' ' N ' ' A' ' 200' ' ' LEU . 9.4 mp -56.68 -62.52 1.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.548 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 22.7 m -61.73 -46.29 90.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.434 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 16.2 tp . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.979 -1.01 . . . . 1.0 110.526 179.857 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 301' ' ' CYC . . . . . 0.727 HBC3 ' CA ' ' A' ' 138' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.2 tp . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.808 0.337 . . . . 1.0 110.589 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 65' ' ' VAL . 51.3 t0 -64.99 -33.49 76.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.604 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -77.07 -54.84 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.55 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.489 HD12 HG21 ' A' ' 34' ' ' ILE . 0.3 OUTLIER -56.32 -35.67 43.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.519 -178.15 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.445 ' O ' ' OG1' ' A' ' 38' ' ' THR . 84.7 mt -73.01 -27.58 61.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.637 -179.464 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.411 ' O ' HG11 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -58.51 -34.38 70.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.602 179.296 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.46 -23.27 34.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.626 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 72.9 p -75.97 -47.21 25.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.672 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' A' ' 40' ' ' GLU . 7.8 p -58.3 -42.13 82.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.691 -178.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.453 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 23.6 pt-20 -75.86 -38.87 57.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.573 -178.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.4 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 41.0 mm-40 -63.8 -42.34 97.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.511 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.54 -51.61 61.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.49 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.572 ' O ' ' N ' ' A' ' 47' ' ' GLY . 34.5 ttp180 -47.32 -40.44 17.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.536 179.3 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.16 -37.6 80.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.575 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -78.74 -50.48 11.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.529 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.533 ' O ' ' N ' ' A' ' 48' ' ' THR . 57.7 mt -77.89 -5.29 50.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.542 179.099 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.572 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 42.55 19.13 0.05 OUTLIER Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 178.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.533 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.7 m -71.78 137.17 47.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.814 0.34 . . . . 1.0 110.559 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' A' ' 70' ' ' GLY . 87.7 m-20 -53.54 -42.94 67.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.597 -177.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.546 ' NH2' ' O ' ' A' ' 75' ' ' PRO . 21.8 ttm180 -136.2 126.44 26.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.018 -175.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.4 t -142.2 129.85 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.902 -0.59 . . . . 1.0 109.893 175.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.0 pttt -144.13 154.42 43.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.128 0.49 . . . . 1.0 111.25 -177.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 56.3 t -101.08 137.54 28.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.721 -0.672 . . . . 1.0 109.886 178.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.564 ' HB2' HBB1 ' A' ' 301' ' ' CYC . 14.0 t80 -122.84 119.88 31.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.927 0.394 . . . . 1.0 111.268 -179.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.483 ' CG ' ' N ' ' A' ' 56' ' ' PHE . 50.2 ttm-85 -94.33 164.8 12.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.012 -0.54 . . . . 1.0 109.903 -179.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.483 ' N ' ' CG ' ' A' ' 55' ' ' ARG . 82.3 t80 -129.67 145.93 51.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.001 0.429 . . . . 1.0 110.879 -178.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 21.7 t70 -117.41 134.05 23.16 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.336 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -44.15 -29.3 2.76 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.711 2.274 . . . . 1.0 112.049 179.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -73.76 -8.22 55.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.451 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.19 18.5 31.13 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.86 -0.896 . . . . 1.0 110.86 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.474 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 96.2 m-70 -116.12 140.96 48.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.843 0.354 . . . . 1.0 110.733 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.425 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -135.22 157.93 23.36 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.567 -1.013 . . . . 1.0 110.567 179.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 81.0 p -139.38 159.3 42.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 1.0 110.739 -178.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.9 t -98.55 114.61 36.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.205 176.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.411 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 12.1 m -101.24 2.79 10.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.829 -177.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -161.46 148.81 14.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.378 . . . . 1.0 110.904 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.522 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 88.7 tt0 -165.88 125.27 1.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.312 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -121.32 130.74 53.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.799 178.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.514 ' O ' ' NH1' ' A' ' 43' ' ' ARG . 67.8 mtm180 -111.66 140.24 46.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.51 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -91.15 -111.43 1.65 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 72' ' ' GLU . . . -57.04 -18.64 27.66 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.783 -0.927 . . . . 1.0 110.783 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.477 ' CB ' ' O ' ' A' ' 71' ' ' GLY . 41.6 tt0 79.27 60.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.77 0.319 . . . . 1.0 110.602 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.445 ' HG3' ' H ' ' A' ' 74' ' ' LEU . 6.6 ptm180 -87.09 -49.76 7.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.487 178.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.445 ' H ' ' HG3' ' A' ' 73' ' ' ARG . 17.9 mt -99.24 166.54 12.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.506 178.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.546 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 4.7 Cg_exo -78.64 174.26 12.55 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.782 2.321 . . . . 1.0 112.066 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 34.5 t -90.19 132.27 35.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.724 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' A' ' 80' ' ' LEU . 37.2 mt -106.42 -11.57 15.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.504 -178.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.522 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 21.3 tp -40.24 135.37 1.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.558 -178.307 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.57 -0.25 67.71 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.901 -0.88 . . . . 1.0 110.901 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 3.6 tt -94.03 126.27 39.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 1.0 110.516 -179.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.422 ' N ' HD23 ' A' ' 80' ' ' LEU . 2.0 p -95.33 129.48 42.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.547 178.339 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.43 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 23.4 m-85 -104.27 147.71 34.79 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.556 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -79.65 145.37 18.23 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.902 2.401 . . . . 1.0 112.219 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.38 -34.21 66.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.65 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.28 -25.3 18.6 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.997 -0.841 . . . . 1.0 110.997 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -57.24 -30.23 64.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.35 . . . . 1.0 110.574 -179.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.565 ' O ' ' O ' ' A' ' 88' ' ' PRO . 38.5 mm -113.47 98.76 47.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.582 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.565 ' O ' ' O ' ' A' ' 87' ' ' ILE . 74.8 Cg_exo -48.81 -127.11 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.858 2.372 . . . . 1.0 112.189 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -148.83 -64.36 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.568 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -46.13 -39.72 9.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.574 -178.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.499 ' CB ' HAD2 ' A' ' 301' ' ' CYC . . . -70.21 -49.15 53.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.535 179.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -60.88 -27.15 67.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.559 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 96' ' ' ARG . 61.7 mtp85 -61.94 -47.29 85.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.473 -178.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.541 ' O ' ' N ' ' A' ' 98' ' ' ALA . 16.6 mt -48.39 -45.4 35.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.538 -179.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.48 ' CZ ' HBA1 ' A' ' 301' ' ' CYC . 56.6 m-85 -63.61 -25.02 68.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.79 178.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 93' ' ' ARG . 48.4 mtp85 -87.85 -22.48 24.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.716 179.27 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.0 mt -103.37 -47.6 4.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.2 -178.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -98.95 -15.19 19.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.433 -175.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.489 ' C ' ' O ' ' A' ' 98' ' ' ALA . 87.0 mt-30 34.57 63.23 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.384 178.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 12.7 t -96.09 -47.09 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.828 177.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.685 HH11 HE22 ' A' ' 185' ' ' GLN . 8.1 mtt180 61.1 50.27 5.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.289 173.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 71.5 t -152.52 127.16 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.614 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.483 ' CD1' ' N ' ' A' ' 103' ' ' ILE . 1.9 mp -107.41 136.85 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.694 177.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.463 ' CG1' ' N ' ' A' ' 105' ' ' ASP . 54.9 t -81.88 167.8 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.35 -178.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.463 ' N ' ' CG1' ' A' ' 104' ' ' VAL . 44.2 m-20 -52.57 121.3 6.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.399 -178.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.8 m -58.79 -10.04 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.565 178.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -78.8 -34.87 45.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.283 -179.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.37 -10.89 1.53 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.34 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 48.4 59.98 3.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.691 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.541 ' O ' ' O ' ' A' ' 135' ' ' VAL . 2.5 t -86.35 142.4 28.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.359 175.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -121.77 125.6 46.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.797 -178.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.459 ' O ' ' CG ' ' A' ' 136' ' ' ASP . 0.8 OUTLIER -133.75 113.87 12.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.233 178.662 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.669 ' CD1' ' H ' ' A' ' 113' ' ' ILE . 0.1 OUTLIER -120.38 -172.29 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.762 -179.626 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.4 ' O ' HG12 ' A' ' 113' ' ' ILE . 7.0 t -73.51 173.82 9.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.708 -178.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -140.76 92.81 8.71 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.519 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -42.1 -28.04 0.77 Allowed 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.82 2.347 . . . . 1.0 112.223 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.45 ' O ' ' O ' ' A' ' 118' ' ' SER . 44.5 tp10 -65.96 -51.11 61.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.622 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.45 ' O ' ' O ' ' A' ' 117' ' ' GLU . 33.7 m 39.29 -162.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.614 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 45.62 44.23 10.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.568 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -57.38 -32.69 64.45 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 2.1 tt -165.29 -64.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.885 0.374 . . . . 1.0 110.645 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.562 ' HG ' ' H ' ' A' ' 123' ' ' ALA . 32.9 t -150.9 169.4 21.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.524 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.562 ' H ' ' HG ' ' A' ' 122' ' ' SER . . . -67.52 -51.61 48.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.556 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -104.39 82.46 1.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.514 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 33.6 m -99.32 112.76 63.96 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.578 179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 127' ' ' LEU . 75.1 Cg_exo -46.92 125.85 10.4 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.797 2.331 . . . . 1.0 112.129 179.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 126' ' ' PRO . 44.4 mt 36.4 -118.47 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.537 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 57.89 34.61 72.21 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -136.05 160.09 68.54 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 1.0 110.625 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.523 ' O ' ' NH2' ' A' ' 133' ' ' ARG . 89.1 Cg_exo -45.2 157.4 0.24 Allowed 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.842 2.361 . . . . 1.0 112.209 179.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.489 ' CD1' ' N ' ' A' ' 131' ' ' LEU . 8.7 mp -80.22 -4.07 51.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.447 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -138.61 160.34 39.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.393 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.569 ' CA ' ' HE ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -113.2 103.34 55.57 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.663 179.758 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -76.91 142.59 22.42 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.762 2.308 . . . . 1.0 112.02 -178.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.541 ' O ' ' O ' ' A' ' 110' ' ' SER . 16.2 m -100.92 159.43 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.565 -179.018 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.642 ' OD2' HMD2 ' A' ' 301' ' ' CYC . 0.0 OUTLIER -92.27 152.58 42.59 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.472 -179.326 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . 0.556 ' O ' ' CD2' ' A' ' 141' ' ' HIS . 3.4 Cg_endo -45.34 -34.88 10.86 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.859 2.373 . . . . 1.0 111.933 -178.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.579 ' CA ' HBC1 ' A' ' 301' ' ' CYC . 0.1 OUTLIER -66.12 -44.0 85.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.458 177.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.573 ' N ' ' SG ' ' A' ' 138' ' ' CYS . 38.3 t-80 -76.13 -32.5 59.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.316 178.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 52.6 t -51.59 -53.85 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.42 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.556 ' CD2' ' O ' ' A' ' 137' ' ' PRO . 11.1 m-70 -62.1 -41.92 98.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.465 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -44.41 -48.02 9.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.38 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 7.9 mp -70.11 -49.81 47.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.313 178.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -55.34 -41.46 72.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.414 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 21.8 m -53.91 -27.1 28.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.49 179.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 55.4 mtt -90.09 0.77 56.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.476 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 68.45 24.88 75.06 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.936 -0.866 . . . . 1.0 110.936 178.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 148' ' ' VAL . 3.7 p -109.69 124.54 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 1.0 110.699 178.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -86.62 -33.15 20.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.287 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 67.1 m -112.27 152.88 27.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.098 -178.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.9 m -150.58 116.23 5.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.013 0.435 . . . . 1.0 111.06 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 47.1 tp -104.13 133.45 49.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.933 -0.576 . . . . 1.0 109.927 178.256 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.427 ' C ' ' CG2' ' A' ' 154' ' ' VAL . 9.8 p -128.65 151.97 36.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.055 0.455 . . . . 1.0 111.175 -178.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.427 ' CG2' ' C ' ' A' ' 153' ' ' VAL . 1.3 t -151.75 78.34 6.82 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 115.655 -0.702 . . . . 1.0 109.977 -179.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -51.82 152.62 13.08 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.862 2.374 . . . . 1.0 112.728 -176.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 28.2 mt -112.54 97.45 6.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.2 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 43.8 mtp -106.93 124.3 49.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.708 -178.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . 0.442 ' O ' ' HB3' ' A' ' 159' ' ' HIS . 26.1 t-80 -110.99 123.8 50.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.383 176.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.442 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 76.5 t60 69.56 -113.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.357 -177.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . 0.421 ' N ' ' CG ' ' A' ' 159' ' ' HIS . 16.9 tt0 -120.82 4.65 10.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.441 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -117.63 167.93 10.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.598 -177.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 5.8 tt -104.3 121.54 43.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.451 178.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . 0.445 ' CD1' ' N ' ' A' ' 163' ' ' TRP . 25.7 m95 -104.72 -40.89 5.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.867 -176.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -139.64 172.42 23.33 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.28 -0.728 . . . . 1.0 111.28 -178.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 5.6 tp -144.26 128.37 17.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.714 0.293 . . . . 1.0 110.477 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 11.7 tp -104.48 135.67 45.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.636 178.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 38.3 t -139.58 138.35 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.732 -178.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' SER . . . . . 0.602 ' O ' ' ND1' ' A' ' 169' ' ' HIS . 0.1 OUTLIER -126.69 136.12 52.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.433 178.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . 0.602 ' ND1' ' O ' ' A' ' 168' ' ' SER . 0.7 OUTLIER -134.53 138.55 44.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.951 0.405 . . . . 1.0 110.703 -179.681 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . 0.512 ' ND1' ' OG1' ' A' ' 48' ' ' THR . 1.3 p-80 -170.85 167.41 7.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.492 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.429 ' N ' ' NH1' ' A' ' 73' ' ' ARG . . . -56.39 -170.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.644 178.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -118.43 80.93 16.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.621 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -84.79 -54.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.859 2.373 . . . . 1.0 112.092 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -146.94 152.85 44.94 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.563 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.42 174.8 5.74 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.769 2.313 . . . . 1.0 112.101 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . 0.437 ' CD1' ' O ' ' A' ' 176' ' ' TYR . 20.1 p90 -116.82 139.01 51.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.613 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 73.8 p -92.32 147.78 22.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.546 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -66.5 -34.98 79.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.425 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -59.78 -50.23 74.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.401 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -69.44 -31.3 69.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.42 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 30.0 tp -56.77 -36.7 70.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.447 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -68.07 -50.89 52.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.291 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 55.8 t -43.45 -50.89 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.202 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 29.2 m -73.98 -35.41 42.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.174 -179.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.685 HE22 HH11 ' A' ' 101' ' ' ARG . 54.0 tp60 -46.61 -32.95 3.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.075 177.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 26.4 tp -74.72 -41.64 59.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.062 178.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 4.1 mt -53.42 -33.17 52.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.018 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -76.73 -40.66 47.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.074 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -57.62 -39.23 76.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.2 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -53.59 -51.81 61.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.101 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 95.2 t -53.67 -42.31 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.085 179.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 2.8 m -49.61 -36.18 23.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.046 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . 0.423 ' CD1' ' N ' ' A' ' 193' ' ' ILE . 1.6 mp -81.02 -32.87 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.147 179.285 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -69.15 -47.28 65.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.236 -178.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 2.2 pp -66.38 -32.55 58.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.247 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -74.61 -55.55 5.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.379 178.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -58.81 -25.54 63.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.306 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -74.59 -37.04 62.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.485 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -52.17 -37.73 55.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.484 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . 0.442 ' CD1' ' N ' ' A' ' 200' ' ' LEU . 9.7 mp -59.78 -57.14 14.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.56 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 23.0 t -50.93 -41.85 59.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.488 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 20.4 mt . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.003 -0.998 . . . . 1.0 110.563 179.845 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 301' ' ' CYC . . . . . 0.642 HMD2 ' OD2' ' A' ' 136' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.9 tp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.803 0.335 . . . . 1.0 110.528 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.8 p-10 -56.54 -31.96 64.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.619 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -77.57 -47.5 19.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.594 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.545 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.4 mp -63.06 -32.76 57.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.608 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.45 ' O ' HG22 ' A' ' 38' ' ' THR . 95.9 mt -79.22 -21.16 46.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.561 -179.215 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.427 ' O ' HG12 ' A' ' 39' ' ' VAL . 20.6 ttm180 -75.13 -34.05 61.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.543 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.35 -29.85 25.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.677 -178.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.533 ' CG2' ' N ' ' A' ' 39' ' ' VAL . 2.6 t -74.4 -42.76 58.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.607 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.533 ' N ' ' CG2' ' A' ' 38' ' ' THR . 6.3 p -56.3 -39.89 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.642 -179.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.451 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 23.0 pt-20 -77.94 -33.28 51.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.551 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.42 -44.45 95.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.503 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.76 -44.52 96.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.453 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.564 ' O ' ' N ' ' A' ' 47' ' ' GLY . 55.3 ttp85 -47.83 -45.14 29.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.565 179.609 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.05 -38.12 81.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.519 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -76.41 -52.57 9.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.469 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.572 ' O ' ' N ' ' A' ' 48' ' ' THR . 10.9 mp -78.93 -4.37 49.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.541 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 41.05 19.76 0.03 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 178.425 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.572 ' N ' ' O ' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -73.69 140.92 46.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.765 0.317 . . . . 1.0 110.644 179.617 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.447 ' O ' ' HA ' ' A' ' 69' ' ' ARG . 96.1 m-20 -48.28 -45.56 34.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.564 -176.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -142.59 140.1 31.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.998 0.428 . . . . 1.0 111.011 -175.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -146.1 135.28 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.891 -0.595 . . . . 1.0 109.843 175.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.408 ' HZ3' HAB1 ' A' ' 301' ' ' CYC . 18.1 pttp -142.78 155.45 44.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.97 0.414 . . . . 1.0 111.289 -179.065 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.6 p -103.55 137.45 31.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.747 -0.661 . . . . 1.0 109.843 178.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.43 ' HB2' HBB1 ' A' ' 301' ' ' CYC . 15.6 t80 -120.01 118.96 32.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.939 0.4 . . . . 1.0 111.231 -178.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -94.47 165.33 12.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.008 -0.542 . . . . 1.0 109.929 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.518 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 77.3 t80 -130.21 145.14 51.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.95 0.405 . . . . 1.0 110.835 -178.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.518 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 1.2 m-20 -115.12 148.12 39.93 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.238 179.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.01 -21.89 60.86 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.713 2.276 . . . . 1.0 112.036 -178.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' A' ' 59' ' ' GLU . 58.4 mp0 -79.81 -5.99 56.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.49 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 100.08 -12.12 60.48 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.784 -0.926 . . . . 1.0 110.784 178.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -84.2 141.95 30.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.879 0.371 . . . . 1.0 110.758 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -131.2 151.74 19.78 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.59 -1.004 . . . . 1.0 110.59 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 77.9 p -136.46 156.73 48.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 1.0 110.778 -177.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.4 t -101.31 118.75 48.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.256 175.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.6 m -105.18 2.39 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.858 -175.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -157.14 147.47 21.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.91 0.386 . . . . 1.0 110.927 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.469 ' CD ' ' H ' ' A' ' 77' ' ' LEU . 55.3 tt0 -166.47 124.09 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.235 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -129.74 147.7 51.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.794 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.447 ' HA ' ' O ' ' A' ' 49' ' ' ASP . 5.1 ptp85 -145.09 149.98 36.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.493 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.5 ' C ' ' H ' ' A' ' 72' ' ' GLU . . . -101.88 -99.98 2.46 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.831 -0.908 . . . . 1.0 110.831 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -50.89 -10.58 0.44 Allowed Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.5 ' H ' ' C ' ' A' ' 70' ' ' GLY . 70.0 tt0 62.8 57.18 1.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 1.0 110.625 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 48.0 ttm-85 -80.78 -56.81 3.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.526 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 27.9 mt -89.87 164.5 28.35 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.486 178.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -81.11 171.97 13.42 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.763 2.309 . . . . 1.0 112.018 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 51.9 p -90.88 133.42 35.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.658 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.469 ' H ' ' CD ' ' A' ' 67' ' ' GLU . 28.1 mt -109.71 -9.98 14.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.453 -179.239 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.5 tp -42.05 136.5 2.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.572 -177.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.35 -2.68 78.56 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.861 -0.896 . . . . 1.0 110.861 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.3 tp -91.04 127.94 36.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 1.0 110.578 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.0 p -98.95 128.36 45.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.611 178.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 13.8 m-85 -96.65 140.37 22.12 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.539 -179.183 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.37 144.0 22.59 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.795 2.33 . . . . 1.0 112.194 178.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.22 -41.45 75.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.619 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.0 -25.27 7.32 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.026 -0.829 . . . . 1.0 111.026 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -56.81 -30.73 64.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.832 0.349 . . . . 1.0 110.562 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.588 ' O ' ' O ' ' A' ' 88' ' ' PRO . 9.2 mt -120.07 97.2 49.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.465 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.588 ' O ' ' O ' ' A' ' 87' ' ' ILE . 86.6 Cg_exo -43.14 -116.33 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.82 2.346 . . . . 1.0 112.18 -179.348 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -158.1 -41.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.521 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 91' ' ' ALA . 21.3 pt-20 -64.92 -43.43 92.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.568 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.455 ' N ' ' CG ' ' A' ' 90' ' ' GLU . . . -60.4 -32.36 71.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.595 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -69.1 -22.46 63.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.652 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -55.43 -58.12 9.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.514 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.681 ' O ' ' N ' ' A' ' 98' ' ' ALA . 48.5 mt -54.08 -36.98 63.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.505 179.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -68.38 -29.41 68.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.736 178.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.447 ' HE ' ' HA ' ' A' ' 96' ' ' ARG . 0.3 OUTLIER -89.56 -26.17 20.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.613 179.464 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.8 mp -103.1 -41.63 6.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.262 -178.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.681 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -90.87 -24.06 20.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.52 -178.51 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.48 ' C ' ' O ' ' A' ' 98' ' ' ALA . 94.9 mt-30 34.23 63.48 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.305 179.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.421 ' CG2' ' N ' ' A' ' 101' ' ' ARG . 23.2 m -111.03 -45.46 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.793 177.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.431 ' NH1' ' HA ' ' A' ' 99' ' ' GLN . 6.7 mpt_? 52.94 61.59 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.288 176.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 39.7 t -149.26 127.38 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.613 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.46 ' CD1' ' N ' ' A' ' 103' ' ' ILE . 1.8 mp -106.68 129.55 60.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.752 178.407 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 4.7 t -84.31 168.93 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.32 -178.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.492 ' C ' ' H ' ' A' ' 107' ' ' GLU . 28.9 t0 -58.39 119.3 6.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.452 -178.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.3 p -51.92 -10.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.567 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.725 ' C ' ' H ' ' A' ' 109' ' ' GLN . 0.8 OUTLIER -93.35 -27.56 16.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.332 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.48 ' O ' ' HB2' ' A' ' 109' ' ' GLN . . . -63.16 23.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.312 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.725 ' H ' ' C ' ' A' ' 107' ' ' GLU . 78.1 mt-30 73.03 49.88 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.7 177.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 11.5 t -86.36 115.99 24.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.439 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 54.3 mtp85 -152.72 106.77 3.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.811 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.1 t -106.0 153.49 21.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.142 179.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 31.5 pt -154.34 159.27 3.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.737 -179.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.6 t -82.31 170.73 15.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.671 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -143.81 146.8 36.14 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.477 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.01 -21.66 27.4 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.854 2.369 . . . . 1.0 112.156 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 118' ' ' SER . 77.5 mm-40 -62.07 -31.64 72.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.585 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 117' ' ' GLU . 1.8 p 79.17 -174.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.647 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 35.4 p90 -142.83 170.44 15.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.571 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.481 ' O ' ' N ' ' A' ' 122' ' ' SER . . . -177.51 -91.8 0.08 OUTLIER Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.567 ' C ' ' H ' ' A' ' 123' ' ' ALA . 25.7 mt 60.42 -78.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.778 0.323 . . . . 1.0 110.558 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 120' ' ' GLY . 14.1 t 51.92 6.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.551 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.567 ' H ' ' C ' ' A' ' 121' ' ' LEU . . . -79.68 -11.51 59.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.54 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 62.58 76.18 0.37 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.529 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 7.4 t -96.99 112.6 61.1 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.538 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -45.55 125.75 7.95 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 122.814 2.343 . . . . 1.0 112.086 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 22.3 mt 39.79 -149.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.64 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 93.62 -11.03 72.02 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.518 ' N ' ' CD ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -91.9 160.14 36.56 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.98 0.419 . . . . 1.0 110.576 179.699 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -49.15 160.38 0.82 Allowed 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.859 2.373 . . . . 1.0 112.115 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.498 ' CD1' ' N ' ' A' ' 131' ' ' LEU . 8.5 mp -78.85 1.35 23.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.502 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -139.65 161.77 36.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.419 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.517 ' CZ ' ' O ' ' A' ' 134' ' ' PRO . 0.0 OUTLIER -120.97 86.56 42.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.589 -179.611 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . 0.517 ' O ' ' CZ ' ' A' ' 133' ' ' ARG . 32.2 Cg_exo -56.43 142.84 88.72 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.763 2.309 . . . . 1.0 111.98 178.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.48 ' CG2' ' CD2' ' A' ' 139' ' ' HIS . 0.0 OUTLIER -125.69 133.54 68.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.506 -179.42 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.465 ' C ' ' H ' ' A' ' 138' ' ' CYS . 33.5 m-20 -45.31 155.16 0.45 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.441 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -48.14 -11.27 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.799 2.333 . . . . 1.0 111.939 178.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.465 ' H ' ' C ' ' A' ' 136' ' ' ASP . 0.0 OUTLIER -59.08 -41.95 89.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.374 178.912 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.48 ' CD2' ' CG2' ' A' ' 135' ' ' VAL . 0.2 OUTLIER -81.58 -28.81 33.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.292 -179.177 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.411 ' N ' ' CD2' ' A' ' 139' ' ' HIS . 22.5 t -48.72 -64.68 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.533 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.578 ' O ' ' N ' ' A' ' 145' ' ' SER . 83.2 t60 -61.18 -40.79 95.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.409 177.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . 0.411 ' CE2' ' CE ' ' A' ' 146' ' ' MET . 7.7 t80 -51.59 -60.89 2.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.405 178.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.9 mp -61.45 -53.65 53.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.369 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 147' ' ' GLY . 2.8 tmtt? -55.87 -40.83 73.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.47 179.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.578 ' N ' ' O ' ' A' ' 141' ' ' HIS . 14.5 t -54.53 -31.92 57.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.473 179.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' MET . . . . . 0.411 ' CE ' ' CE2' ' A' ' 142' ' ' TYR . 6.0 mtt -85.3 -4.63 59.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.443 176.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 144' ' ' LYS . . . 76.59 26.64 62.7 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 16.8 t -108.55 110.82 33.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.797 0.332 . . . . 1.0 110.695 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -72.57 -30.93 64.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.26 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' SER . . . . . 0.503 ' CB ' ' OE1' ' A' ' 172' ' ' GLU . 28.3 m -144.47 121.38 11.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.141 -179.116 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 13.9 p -115.3 130.67 56.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.976 0.417 . . . . 1.0 111.072 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 29.3 tp -100.26 115.63 30.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.978 -0.555 . . . . 1.0 109.919 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.471 ' CG2' ' N ' ' A' ' 154' ' ' VAL . 2.5 p -106.27 157.29 6.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.055 0.455 . . . . 1.0 111.265 -179.187 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.471 ' N ' ' CG2' ' A' ' 153' ' ' VAL . 93.7 t -153.64 126.58 4.1 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 115.762 -0.654 . . . . 1.0 109.986 -178.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -89.36 151.19 5.45 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.931 2.421 . . . . 1.0 112.649 -174.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 24.3 mt -117.15 96.52 5.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.248 176.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.432 ' O ' ' OG ' ' A' ' 192' ' ' SER . 49.8 mtp -105.57 127.41 53.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.776 -176.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . 0.586 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 16.6 t-80 -120.75 121.92 39.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.361 175.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.491 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 59.3 t60 78.26 -119.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.4 -176.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -121.1 3.56 10.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.402 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -119.33 167.68 11.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.565 -178.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 14.1 tp -101.96 121.52 42.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.492 178.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . 0.511 ' CD1' ' N ' ' A' ' 163' ' ' TRP . 19.5 m95 -103.04 -42.78 5.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.826 -177.256 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -140.45 176.13 21.59 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.226 -0.75 . . . . 1.0 111.226 -178.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 3.6 tp -147.91 127.75 13.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 1.0 110.469 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 154' ' ' VAL . 60.5 tp -98.87 140.1 33.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.557 178.176 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 5.4 t -143.93 144.25 23.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.688 -176.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 4.3 m -126.67 144.2 50.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.41 177.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -126.78 130.28 49.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.403 . . . . 1.0 110.71 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . 0.411 ' O ' ' O ' ' A' ' 150' ' ' SER . 1.5 p-80 -171.73 166.04 6.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.555 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -62.55 -155.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.602 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . 0.503 ' OE1' ' CB ' ' A' ' 150' ' ' SER . 24.1 tp10 -124.46 78.49 62.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.585 179.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -84.67 -52.09 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.833 2.355 . . . . 1.0 112.063 179.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -147.69 151.26 38.68 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.514 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.31 177.42 3.21 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.764 2.309 . . . . 1.0 112.048 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -109.2 115.63 30.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.596 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 46.4 m -69.32 144.37 53.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.572 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -66.23 -39.72 89.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.535 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -64.43 -54.47 32.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.502 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -65.26 -33.08 75.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.427 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 25.3 tp -57.52 -42.45 82.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.446 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -60.34 -48.54 81.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.344 -179.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 54.0 t -42.64 -49.76 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.103 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 91.1 t -72.92 -38.15 55.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.217 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -46.88 -33.97 5.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.095 178.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 10.7 mp -74.09 -41.23 61.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.092 178.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 93.5 mt -53.87 -30.83 47.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.066 178.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -74.24 -38.91 63.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.061 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -59.15 -40.14 84.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.171 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -52.54 -54.33 34.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.113 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 81.9 t -54.89 -41.01 55.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.155 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 192' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 157' ' ' MET . 3.9 t -48.85 -36.0 15.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.16 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.16 -32.77 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.969 -0.559 . . . . 1.0 110.074 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -70.5 -47.66 59.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.282 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 17.7 tt -64.23 -35.17 73.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.181 179.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . 0.586 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -76.32 -55.72 5.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.346 178.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -56.11 -25.11 44.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.399 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -75.37 -35.43 61.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.463 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -52.5 -39.42 61.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.444 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . 0.419 ' C ' ' CD2' ' A' ' 200' ' ' LEU . 2.8 tt -54.31 -64.65 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.474 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 87.3 p -63.23 -47.44 82.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.466 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 11.6 tp . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.01 -0.995 . . . . 1.0 110.599 179.779 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 301' ' ' CYC . . . . . 0.45 HBD2 ' HB2' ' A' ' 136' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 64.3 tp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.841 0.353 . . . . 1.0 110.556 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -55.27 -34.53 64.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.568 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -74.15 -49.4 23.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.54 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.536 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.4 mp -60.44 -31.39 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.577 -178.277 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 92.7 mt -74.75 -25.88 59.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.598 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.414 ' O ' HG13 ' A' ' 39' ' ' VAL . 86.3 mtt180 -66.4 -35.73 81.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.621 178.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.22 -26.37 39.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.657 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.3 p -76.84 -46.12 25.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.586 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 36' ' ' ARG . 3.8 p -54.53 -36.5 35.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.65 -178.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.414 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 22.2 pt-20 -78.39 -32.17 48.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.575 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -63.7 -52.18 61.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.465 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.2 p -61.63 -44.75 99.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.567 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.549 ' HE ' ' C ' ' A' ' 43' ' ' ARG . 1.6 tmm_? -47.91 -45.95 31.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.513 179.031 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.442 ' N ' ' HE ' ' A' ' 43' ' ' ARG . . . -58.97 -35.29 72.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.59 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -76.25 -51.91 11.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.5 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.517 ' CD1' ' N ' ' A' ' 46' ' ' LEU . 8.9 mp -79.97 -1.85 41.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.561 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 42.62 22.2 0.13 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 177.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.53 ' CG2' ' H ' ' A' ' 50' ' ' ARG . 1.2 m -75.71 137.07 40.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.845 0.355 . . . . 1.0 110.5 179.146 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.562 ' OD1' ' N ' ' A' ' 50' ' ' ARG . 30.8 p-10 -68.03 -20.24 64.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.603 -176.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.562 ' N ' ' OD1' ' A' ' 49' ' ' ASP . 24.9 ttm180 -147.99 118.1 7.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.99 0.424 . . . . 1.0 111.011 -178.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.5 p -147.14 135.2 15.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.851 -0.613 . . . . 1.0 109.883 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.9 pttt -145.86 156.3 43.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.99 0.424 . . . . 1.0 111.256 -177.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.9 p -95.87 138.5 21.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.691 -0.686 . . . . 1.0 109.839 177.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.697 ' CD1' HBB1 ' A' ' 301' ' ' CYC . 68.1 t80 -123.21 119.18 29.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.887 0.375 . . . . 1.0 111.236 -177.005 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -94.94 162.67 13.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.96 -0.564 . . . . 1.0 109.92 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -129.83 144.78 51.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.912 0.387 . . . . 1.0 110.897 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 61' ' ' HIS . 21.3 t70 -115.04 133.82 22.61 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.301 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -44.33 -29.53 3.11 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.638 2.226 . . . . 1.0 112.051 179.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -73.02 -8.72 57.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.436 -178.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.68 20.11 25.32 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.788 -0.925 . . . . 1.0 110.788 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.505 ' O ' ' N ' ' A' ' 57' ' ' ASP . 79.7 m80 -119.54 143.82 47.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 1.0 110.706 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.435 ' O ' ' OG1' ' A' ' 81' ' ' THR . . . -139.08 161.21 25.94 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.665 -0.974 . . . . 1.0 110.665 178.74 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 76.9 p -140.28 160.57 39.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.827 0.346 . . . . 1.0 110.763 -177.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.9 t -100.2 115.16 40.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.165 176.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.8 m -105.93 2.04 10.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.88 -176.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -159.31 148.12 18.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.879 0.371 . . . . 1.0 110.869 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -166.11 125.33 1.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.191 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -127.59 152.81 47.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.871 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.526 ' C ' HH11 ' A' ' 43' ' ' ARG . 35.2 ptt-85 -139.84 145.12 37.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.476 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.69 13.68 66.07 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.914 -0.875 . . . . 1.0 110.914 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -173.02 -120.3 0.56 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.789 -0.924 . . . . 1.0 110.789 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -175.66 50.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.768 0.318 . . . . 1.0 110.561 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 52.2 ttm-85 -79.96 -57.77 3.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.518 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.404 ' CB ' ' NH2' ' A' ' 50' ' ' ARG . 12.3 mt -97.05 166.68 13.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.515 178.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.518 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 2.9 Cg_exo -77.49 174.84 12.07 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.703 2.268 . . . . 1.0 112.064 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.9 m -95.53 140.33 30.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.722 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 43.4 mt -110.86 -12.79 14.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.438 -179.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.9 tp -43.38 137.97 2.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.553 -178.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.02 0.11 68.66 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.857 -0.897 . . . . 1.0 110.857 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.436 HD23 ' N ' ' A' ' 81' ' ' THR . 2.7 tt -99.79 130.01 45.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 1.0 110.576 -179.548 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.436 ' N ' HD23 ' A' ' 80' ' ' LEU . 12.9 t -96.98 132.54 42.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.641 178.48 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 23.2 m-85 -106.76 149.22 38.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.555 -179.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -80.42 147.63 18.06 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.868 2.379 . . . . 1.0 112.121 177.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.22 -32.34 72.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.702 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -51.47 -24.91 12.15 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -60.28 -29.3 68.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 1.0 110.602 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.62 ' O ' ' O ' ' A' ' 88' ' ' PRO . 86.9 mt -114.52 93.06 30.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.553 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.62 ' O ' ' O ' ' A' ' 87' ' ' ILE . 83.6 Cg_exo -43.81 -120.69 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.827 2.352 . . . . 1.0 112.198 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -154.66 -60.78 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.612 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.4 ' CG ' ' N ' ' A' ' 91' ' ' ALA . 11.2 pt-20 -45.85 -40.6 10.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.56 -178.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.4 ' N ' ' CG ' ' A' ' 90' ' ' GLU . . . -66.5 -44.91 81.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.571 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.574 HH21 ' CG2' ' A' ' 87' ' ' ILE . 39.1 ttm180 -60.16 -24.76 65.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.536 -178.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 96' ' ' ARG . 97.2 mtt180 -60.52 -51.85 67.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.475 -178.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.608 ' O ' ' N ' ' A' ' 98' ' ' ALA . 28.4 mt -47.29 -43.97 22.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.465 -179.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 32.6 m-85 -67.06 -25.01 66.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.756 179.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' A' ' 93' ' ' ARG . 50.1 mtp180 -88.58 -25.61 22.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.7 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.3 mp -104.99 -46.42 4.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.193 -178.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.608 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -93.62 -18.28 22.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.43 -177.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.488 ' C ' ' O ' ' A' ' 98' ' ' ALA . 86.9 mt-30 34.4 63.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.266 178.149 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.416 ' CG2' ' N ' ' A' ' 101' ' ' ARG . 25.3 m -103.23 -45.13 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.856 176.134 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.416 ' N ' ' CG2' ' A' ' 100' ' ' VAL . 0.6 OUTLIER 58.95 56.75 3.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.273 173.352 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 15.4 m -154.21 129.1 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.609 179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.447 ' CD1' ' N ' ' A' ' 103' ' ' ILE . 1.7 mp -108.36 137.74 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.712 177.451 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.487 ' CG2' ' N ' ' A' ' 105' ' ' ASP . 11.2 p -79.54 168.63 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.298 -177.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.487 ' N ' ' CG2' ' A' ' 104' ' ' VAL . 28.1 m-20 -48.75 123.74 7.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.461 -178.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.65 -12.68 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.507 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.439 ' C ' ' H ' ' A' ' 109' ' ' GLN . 8.0 pt-20 -77.06 -32.57 56.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.302 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.39 -8.47 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.292 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.439 ' H ' ' C ' ' A' ' 107' ' ' GLU . 93.0 mt-30 45.95 61.36 2.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.704 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 135' ' ' VAL . 17.9 p -86.28 140.11 30.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.386 175.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -122.81 131.65 53.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.841 -177.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.507 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 10.8 t -140.86 117.82 11.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.187 178.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.406 HD12 HG22 ' A' ' 113' ' ' ILE . 40.0 pt -120.31 -167.12 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.768 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.1 t -76.37 172.43 12.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.672 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -140.91 150.18 58.63 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.425 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.25 -32.98 9.78 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.838 2.358 . . . . 1.0 112.243 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.531 ' O ' ' N ' ' A' ' 119' ' ' TRP . 14.2 mm-40 -63.92 -40.18 95.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.582 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.7 t 40.69 21.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.642 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . 0.541 ' CD1' ' N ' ' A' ' 120' ' ' GLY . 71.2 t-105 -149.28 174.52 12.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.543 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.541 ' N ' ' CD1' ' A' ' 119' ' ' TRP . . . -156.63 -177.05 29.4 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 43.3 mt -57.16 -38.64 73.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 1.0 110.602 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 36.3 m -142.96 151.19 40.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.418 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.89 -61.09 1.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.562 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 68.5 ttp85 -102.63 82.25 2.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.567 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.401 ' O ' ' CG1' ' A' ' 125' ' ' VAL . 9.4 p -99.18 111.98 62.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.501 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -46.5 129.61 13.86 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.785 2.323 . . . . 1.0 112.149 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.523 ' C ' ' H ' ' A' ' 129' ' ' GLU . 8.1 tp 40.91 -115.01 0.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.62 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 61.2 -0.29 1.33 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.523 ' H ' ' C ' ' A' ' 127' ' ' LEU . 40.1 mm-40 -103.89 155.71 36.67 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.818 0.342 . . . . 1.0 110.651 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -46.32 154.49 0.87 Allowed 'Trans proline' 0 C--N 1.303 -1.838 0 C-N-CA 122.897 2.398 . . . . 1.0 112.092 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.4 tp -71.38 -2.16 15.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.432 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -138.61 163.53 31.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.464 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -116.86 108.91 43.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.733 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -79.85 140.69 14.67 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.709 2.273 . . . . 1.0 111.926 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.6 ' CG2' ' ND1' ' A' ' 139' ' ' HIS . 35.8 m -124.55 133.24 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.536 -177.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.604 ' OD1' HMD2 ' A' ' 301' ' ' CYC . 0.1 OUTLIER -43.29 159.85 0.22 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.452 179.195 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -55.07 -48.72 19.51 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.857 2.371 . . . . 1.0 111.929 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.506 ' SG ' ' CHD' ' A' ' 301' ' ' CYC . 0.5 OUTLIER -46.83 -26.14 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.415 -179.804 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.6 ' ND1' ' CG2' ' A' ' 135' ' ' VAL . 35.9 t-80 -87.48 -40.52 14.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.282 177.145 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 66.8 t -48.38 -47.21 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.531 178.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.518 ' CD2' ' OG ' ' A' ' 145' ' ' SER . 84.1 t60 -65.77 -39.35 90.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.347 178.438 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -46.9 -55.61 7.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.436 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 94.0 mt -66.39 -50.38 63.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.415 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -56.87 -40.56 76.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.494 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.518 ' OG ' ' CD2' ' A' ' 141' ' ' HIS . 45.6 m -54.1 -27.35 32.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.495 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 47.5 mtt -89.68 2.75 54.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.395 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 66.53 22.41 71.44 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 179.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.413 ' CG1' ' N ' ' A' ' 170' ' ' HIS . 3.2 t -107.51 119.23 56.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.678 0.275 . . . . 1.0 110.718 178.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -78.89 -34.64 44.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.274 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 96.0 p -107.57 150.7 26.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.105 -177.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.4 t -146.94 104.21 3.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.928 0.394 . . . . 1.0 111.092 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 55.6 tp -97.28 132.43 43.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.993 -0.549 . . . . 1.0 109.985 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.477 HG22 ' N ' ' A' ' 154' ' ' VAL . 8.5 p -128.44 151.4 35.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.035 0.445 . . . . 1.0 111.227 -179.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.477 ' N ' HG22 ' A' ' 153' ' ' VAL . 48.1 t -152.9 74.63 6.97 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.756 -0.657 . . . . 1.0 109.933 -178.032 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -48.7 157.67 1.43 Allowed 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.915 2.41 . . . . 1.0 112.703 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 25.8 mt -117.19 101.05 8.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.199 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 35.3 mtp -106.31 125.35 50.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.776 -178.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . 0.404 ' CE1' ' CB ' ' A' ' 196' ' ' ALA . 12.0 t60 -106.78 122.53 46.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.386 177.186 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.442 ' CG ' ' N ' ' A' ' 160' ' ' GLN . 84.1 t60 59.69 -104.44 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.376 -178.426 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . 0.442 ' N ' ' CG ' ' A' ' 159' ' ' HIS . 1.4 tt0 -121.48 1.85 10.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.451 -179.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.44 ' HG3' ' N ' ' A' ' 162' ' ' LEU . 32.5 tp10 -117.51 158.51 24.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.602 -176.182 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . 0.44 ' N ' ' HG3' ' A' ' 161' ' ' GLU . 6.1 tt -103.44 122.5 45.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.472 177.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 74.2 m95 -106.31 -40.9 5.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.888 -176.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -136.82 173.3 22.19 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.177 -0.769 . . . . 1.0 111.177 -177.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 11.1 tp -145.41 118.56 8.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 1.0 110.386 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.405 ' HB3' ' O ' ' A' ' 154' ' ' VAL . 29.5 tp -96.58 140.19 31.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.516 178.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 7.3 p -146.21 141.21 21.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.672 -177.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.47 143.95 51.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.431 178.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . 0.629 ' ND1' ' N ' ' A' ' 169' ' ' HIS . 0.0 OUTLIER -146.82 140.47 25.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.76 -179.462 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . 0.743 ' CD2' ' H ' ' A' ' 171' ' ' ALA . 11.0 t-80 -172.03 164.35 6.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.467 -179.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.743 ' H ' ' CD2' ' A' ' 170' ' ' HIS . . . -47.9 171.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.619 177.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -59.96 107.52 1.05 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.594 -178.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 171' ' ' ALA . 75.4 Cg_endo -93.13 -97.98 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.871 2.381 . . . . 1.0 112.045 178.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.543 ' NE ' ' O ' ' A' ' 175' ' ' PRO . 0.0 OUTLIER -154.84 157.53 32.02 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.517 179.365 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . 0.543 ' O ' ' NE ' ' A' ' 174' ' ' ARG . 54.5 Cg_exo -49.98 165.54 0.32 Allowed 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.839 2.359 . . . . 1.0 111.99 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -109.99 130.42 55.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.596 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 56.2 p -95.94 149.47 21.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.548 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -65.15 -36.34 83.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.55 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -64.37 -56.13 16.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.504 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.42 -32.41 74.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.47 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 26.2 tp -57.62 -40.39 79.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.341 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -63.58 -48.63 76.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.384 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 47.9 t -42.77 -53.5 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.146 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 4.8 p -74.36 -35.42 39.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.154 -178.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -48.04 -40.01 21.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.061 178.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 19.9 tp -73.34 -34.61 65.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.038 178.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 14.6 tp -56.03 -32.38 63.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.08 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -74.18 -39.44 63.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.113 178.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -56.19 -38.9 71.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.217 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -54.48 -54.43 41.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.188 178.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 86.5 t -55.99 -43.06 73.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.141 178.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 192' ' ' SER . . . . . 0.446 ' H ' ' HG ' ' A' ' 192' ' ' SER . 3.8 m -49.44 -33.74 14.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.179 179.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 71.7 mt -80.93 -32.65 12.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.118 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -70.69 -46.43 63.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.255 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 8.5 tp -65.03 -35.06 74.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.173 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . 0.404 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.55 -56.64 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.365 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -58.04 -25.57 61.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.378 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -74.82 -36.76 62.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.382 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -52.78 -38.41 61.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.396 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 47.3 tp -58.29 -60.2 4.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.441 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 89.4 p -64.75 -48.39 74.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.496 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 8.9 tp . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.027 -0.987 . . . . 1.0 110.563 179.744 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 301' ' ' CYC . . . . . 0.697 HBB1 ' CD1' ' A' ' 54' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.409 ' N ' ' CD1' ' A' ' 31' ' ' LEU . 7.6 mp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.801 0.334 . . . . 1.0 110.547 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -55.3 -32.98 62.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.579 -179.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -77.64 -54.39 6.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.49 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.478 ' O ' ' CD1' ' A' ' 34' ' ' ILE . 0.3 OUTLIER -59.94 -30.18 44.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.563 -177.892 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.56 ' O ' ' OG1' ' A' ' 38' ' ' THR . 83.2 mt -73.85 -33.35 64.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.646 -178.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -55.42 -36.91 66.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.546 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.86 -25.73 53.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.585 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.56 ' OG1' ' O ' ' A' ' 35' ' ' LEU . 68.9 p -73.69 -43.87 58.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.616 178.691 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 58.2 t -59.83 -40.9 83.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.676 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -71.29 -38.0 71.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.589 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -64.0 -44.18 93.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.514 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 91.7 t -65.31 -48.06 84.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.486 -179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.673 HH11 ' N ' ' A' ' 69' ' ' ARG . 43.7 ttp180 -47.32 -43.5 22.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.54 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.47 -36.27 77.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.537 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -76.76 -50.34 13.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.503 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.546 ' O ' ' N ' ' A' ' 48' ' ' THR . 32.0 mt -80.57 -2.78 47.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.624 179.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.57 22.29 0.05 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.929 -0.868 . . . . 1.0 110.929 177.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.546 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.2 m -73.54 138.23 44.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.814 0.34 . . . . 1.0 110.6 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.484 ' CG ' ' ND1' ' A' ' 170' ' ' HIS . 89.4 m-20 -52.72 -39.41 62.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.616 -177.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.534 ' NH1' ' OE2' ' A' ' 67' ' ' GLU . 51.8 ttm-85 -146.53 128.13 15.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.003 -177.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.0 p -145.52 140.76 22.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.906 -0.588 . . . . 1.0 109.849 177.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.531 ' HZ1' ' HE2' ' A' ' 169' ' ' HIS . 20.6 pttm -146.28 164.66 31.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.001 0.429 . . . . 1.0 111.245 -177.019 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.5 p -105.99 137.42 36.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.687 -0.688 . . . . 1.0 109.88 178.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.503 ' HB2' HBB1 ' A' ' 301' ' ' CYC . 13.3 t80 -120.51 121.0 37.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.903 0.382 . . . . 1.0 111.236 -177.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.494 ' HG3' ' H ' ' A' ' 56' ' ' PHE . 4.8 tpt180 -95.32 163.53 13.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.002 -0.545 . . . . 1.0 109.865 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.494 ' H ' ' HG3' ' A' ' 55' ' ' ARG . 86.3 t80 -129.95 146.5 51.65 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.731 -0.388 . . . . 1.0 110.936 -178.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 9.2 t70 -117.14 133.11 23.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.29 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -43.47 -30.47 2.54 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.781 2.321 . . . . 1.0 112.071 178.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -72.48 -11.35 60.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.436 -178.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 100.43 16.21 27.71 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.753 -0.939 . . . . 1.0 110.753 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.478 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 80.0 m-70 -112.93 138.6 49.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.839 0.352 . . . . 1.0 110.721 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -132.57 154.15 20.95 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.656 -0.978 . . . . 1.0 110.656 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 82.8 p -138.91 159.14 42.84 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.947 -0.301 . . . . 1.0 110.783 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.492 HG22 ' H ' ' A' ' 79' ' ' GLY . 0.2 OUTLIER -100.73 110.93 28.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.17 175.789 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 23.9 m -95.18 3.28 9.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.798 -176.117 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -163.81 153.17 14.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.878 0.37 . . . . 1.0 110.952 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.534 ' OE2' ' NH1' ' A' ' 50' ' ' ARG . 58.9 tt0 -164.49 123.09 1.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.306 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -122.07 141.73 51.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.813 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.673 ' N ' HH11 ' A' ' 43' ' ' ARG . 0.0 OUTLIER -133.3 143.17 48.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.064 -0.517 . . . . 1.0 110.459 179.281 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -95.06 -81.45 1.55 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.884 -0.886 . . . . 1.0 110.884 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.23 0.1 81.1 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.802 -0.919 . . . . 1.0 110.802 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 55.86 56.7 5.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.8 0.333 . . . . 1.0 110.537 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.477 ' NH2' ' C ' ' A' ' 170' ' ' HIS . 18.0 ttp180 -79.25 -57.23 3.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.559 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.406 ' HB2' ' HE ' ' A' ' 50' ' ' ARG . 12.0 mt -90.78 167.19 16.85 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.497 178.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -79.0 171.28 16.66 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.761 2.307 . . . . 1.0 112.132 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.5 p -88.81 132.15 34.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.731 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.9 mt -108.15 -10.86 15.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.481 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.8 tp -41.94 136.7 2.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.534 -177.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.492 ' H ' HG22 ' A' ' 64' ' ' VAL . . . 92.03 -0.73 72.98 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 179.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.412 ' O ' HG23 ' A' ' 64' ' ' VAL . 4.5 tt -95.89 130.11 42.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 1.0 110.563 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.0 t -95.96 124.8 40.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.588 178.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.472 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 16.4 m-85 -98.83 141.82 23.55 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.544 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.13 139.38 18.96 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.812 2.341 . . . . 1.0 112.222 177.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.05 -32.94 64.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.672 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.94 -23.22 3.47 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.439 ' O ' ' ND ' ' A' ' 301' ' ' CYC . 86.5 m-20 -56.08 -32.7 64.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.806 0.336 . . . . 1.0 110.541 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 7.9 mt -133.39 97.75 15.87 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.474 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_exo -39.74 -92.44 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.776 2.317 . . . . 1.0 112.169 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -174.61 -28.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.541 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 93' ' ' ARG . 16.2 pt-20 -64.08 -38.47 91.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.544 -178.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.7 -33.51 76.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.568 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.445 HH21 HH22 ' A' ' 93' ' ' ARG . 61.5 ttp180 -69.87 -23.63 63.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.531 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.445 HH22 HH21 ' A' ' 92' ' ' ARG . 13.8 mmp_? -57.78 -56.83 16.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.454 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.645 ' O ' ' N ' ' A' ' 98' ' ' ALA . 9.4 mt -50.53 -41.27 53.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.503 179.195 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -63.07 -25.26 68.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.764 178.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -90.24 -28.94 18.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.593 -178.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.0 mp -106.76 -44.77 4.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.231 -177.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.645 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -87.43 -27.37 22.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.466 -176.662 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.467 ' C ' ' O ' ' A' ' 98' ' ' ALA . 89.2 mt-30 35.25 61.23 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.362 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.541 ' C ' ' HE ' ' A' ' 101' ' ' ARG . 8.7 p -115.42 -49.05 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.837 177.128 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.541 ' HE ' ' C ' ' A' ' 100' ' ' VAL . 0.1 OUTLIER 56.95 66.37 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.307 173.744 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 67.2 t -144.51 124.39 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.575 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.512 ' CD1' ' N ' ' A' ' 103' ' ' ILE . 2.5 mp -109.52 131.73 59.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.727 178.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -84.72 172.5 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.257 -177.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 105' ' ' ASP . 0.5 OUTLIER -51.82 120.36 5.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.466 -178.329 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.8 m -58.05 -8.2 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.558 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.425 ' H ' ' C ' ' A' ' 105' ' ' ASP . 14.6 pt-20 -81.27 -31.74 33.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.335 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.22 -13.11 4.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.381 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 49.88 57.67 6.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.719 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.6 t -94.12 138.8 31.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.38 175.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -122.41 135.97 54.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.869 -176.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.417 ' O ' ' CG ' ' A' ' 136' ' ' ASP . 0.7 OUTLIER -143.77 119.17 10.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.207 177.463 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.732 ' CG1' ' H ' ' A' ' 114' ' ' SER . 1.1 tt -122.63 -163.69 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.721 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.732 ' H ' ' CG1' ' A' ' 113' ' ' ILE . 29.3 t -76.41 173.8 11.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.713 -179.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -169.9 149.63 3.51 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.432 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -36.68 99.68 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.851 2.367 . . . . 1.0 112.185 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 118' ' ' SER . 42.4 tp10 -169.93 -36.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.62 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 117' ' ' GLU . 73.5 m 47.17 -174.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.653 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 55.3 p-90 -63.7 129.18 39.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.624 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 155.38 -127.5 2.07 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.898 -0.881 . . . . 1.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 7.1 tp 45.52 50.34 10.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.823 0.344 . . . . 1.0 110.579 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 35.6 p -83.04 4.81 24.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.59 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.07 -38.76 71.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.568 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 65.63 52.33 1.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.568 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 7.3 p -69.19 117.07 48.57 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.623 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -46.16 129.87 13.2 Favored 'Trans proline' 0 C--N 1.304 -1.814 0 C-N-CA 122.865 2.377 . . . . 1.0 112.091 179.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.406 ' CG ' ' H ' ' A' ' 128' ' ' GLY . 6.3 tp 40.33 -120.89 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.585 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.406 ' H ' ' CG ' ' A' ' 127' ' ' LEU . . . 77.63 13.19 83.75 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.536 ' OE1' ' NH2' ' A' ' 133' ' ' ARG . 50.3 mm-40 -129.99 155.13 81.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 1.0 110.613 -179.436 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.411 ' HG2' HH21 ' A' ' 133' ' ' ARG . 10.4 Cg_endo -51.36 164.46 0.8 Allowed 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.915 2.41 . . . . 1.0 112.11 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 41.3 mt -72.65 -1.43 16.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.442 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -132.03 167.74 19.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.521 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.536 ' NH2' ' OE1' ' A' ' 129' ' ' GLU . 1.8 mmp_? -130.36 84.58 59.18 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.633 -178.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -50.02 146.39 17.2 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.76 2.307 . . . . 1.0 111.937 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.442 ' HB ' ' CD2' ' A' ' 139' ' ' HIS . 16.7 t -128.62 135.59 62.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.515 179.226 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.422 ' C ' ' H ' ' A' ' 138' ' ' CYS . 21.2 m-20 -44.13 155.86 0.33 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.405 -179.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -51.48 -11.21 0.63 Allowed 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.828 2.352 . . . . 1.0 111.915 178.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' CYS . . . . . 0.466 ' SG ' ' CHD' ' A' ' 301' ' ' CYC . 0.0 OUTLIER -56.27 -44.65 79.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.419 179.517 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.546 ' CD2' ' N ' ' A' ' 140' ' ' VAL . 0.1 OUTLIER -83.51 -23.6 32.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.296 -177.741 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.546 ' N ' ' CD2' ' A' ' 139' ' ' HIS . 4.8 t -50.18 -64.36 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.496 -179.425 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.459 ' O ' ' N ' ' A' ' 145' ' ' SER . 38.9 m-70 -63.76 -42.66 97.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.454 178.445 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -49.95 -55.32 14.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.452 178.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 8.9 mp -64.88 -53.55 44.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.395 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -55.15 -41.33 71.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.465 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 141' ' ' HIS . 46.8 t -54.02 -26.25 25.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.516 178.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 34.9 mtt -92.22 -1.88 56.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.442 177.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 69.7 24.34 76.33 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.871 -0.892 . . . . 1.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.524 ' O ' ' CG2' ' A' ' 148' ' ' VAL . 2.9 m -112.22 120.18 61.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 1.0 110.62 179.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -91.45 -12.58 34.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.272 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 39.1 t -113.17 144.81 42.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.105 -179.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.17 97.22 2.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 1.0 111.076 178.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 56.7 tp -98.96 134.25 42.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.034 -0.53 . . . . 1.0 109.99 178.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . 0.433 HG21 ' O ' ' A' ' 166' ' ' LEU . 1.3 p -128.71 151.41 35.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.092 0.473 . . . . 1.0 111.211 -177.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' VAL . . . . . 0.412 ' CG2' ' C ' ' A' ' 153' ' ' VAL . 1.5 t -150.74 100.04 3.11 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.688 -0.687 . . . . 1.0 109.999 -179.241 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.23 151.08 33.77 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.966 2.444 . . . . 1.0 112.675 -173.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 34.1 mt -118.28 95.36 4.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.181 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.437 ' O ' ' OG ' ' A' ' 192' ' ' SER . 21.5 ptm -111.81 135.31 52.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.723 -177.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' HIS . . . . . 0.468 ' O ' ' CB ' ' A' ' 159' ' ' HIS . 38.9 t60 -116.13 121.5 42.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.419 177.282 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' HIS . . . . . 0.66 ' CE1' HE21 ' A' ' 160' ' ' GLN . 15.4 t-80 77.2 -113.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.406 -177.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . 0.66 HE21 ' CE1' ' A' ' 159' ' ' HIS . 1.5 mp0 -121.58 6.63 10.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.396 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.509 ' N ' ' OE1' ' A' ' 161' ' ' GLU . 37.7 mp0 -117.77 161.55 19.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.526 -176.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 6.4 mp -106.58 126.01 51.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.442 177.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -104.0 -40.13 6.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.919 -176.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -141.77 175.61 22.44 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.279 -0.728 . . . . 1.0 111.279 -177.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 5.2 tp -148.96 141.19 24.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.787 0.327 . . . . 1.0 110.381 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' LEU . . . . . 0.433 ' O ' HG21 ' A' ' 153' ' ' VAL . 8.2 tp -112.44 147.59 36.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.652 178.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 69.2 t -151.89 136.6 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.722 -179.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.4 143.27 49.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.377 179.353 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' HIS . . . . . 0.531 ' HE2' ' HZ1' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -130.14 137.4 50.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.748 -179.59 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' HIS . . . . . 0.742 ' CD2' ' N ' ' A' ' 171' ' ' ALA . 49.1 t60 -169.91 172.41 6.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.475 -178.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.742 ' N ' ' CD2' ' A' ' 170' ' ' HIS . . . -50.19 -157.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.544 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -44.94 144.71 1.84 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.644 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -84.79 -179.05 3.51 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.84 2.36 . . . . 1.0 112.047 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 71.5 mtt85 -150.55 148.69 24.37 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.44 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.27 139.15 76.03 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.739 2.293 . . . . 1.0 112.047 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -105.48 123.15 47.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.646 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 50.5 m -65.18 146.15 55.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.533 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -63.36 -34.95 78.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.457 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -68.01 -41.87 81.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.516 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -78.78 -28.46 44.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.437 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 21.5 tp -60.28 -50.18 74.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.36 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 182' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 183' ' ' VAL . 13.5 pt20 -60.92 -44.96 96.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.435 -179.033 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 183' ' ' VAL . . . . . 0.411 ' N ' ' HG3' ' A' ' 182' ' ' GLN . 53.4 t -44.44 -55.25 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.173 -179.284 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 23.7 m -74.49 -34.91 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.199 -178.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -47.23 -40.13 15.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.025 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 79.5 mt -73.68 -34.08 64.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.047 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 6.6 tt -56.62 -33.97 66.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.033 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -73.79 -37.83 64.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.138 178.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -59.91 -38.38 82.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.184 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -55.19 -55.06 35.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.199 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 38.9 t -55.15 -44.88 76.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.136 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 192' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' A' ' 157' ' ' MET . 8.4 t -49.63 -34.1 17.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.076 179.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 70.4 mt -81.71 -31.76 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.126 178.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -68.53 -45.83 71.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.221 -179.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 2.3 pp -68.42 -27.39 36.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.196 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . 0.434 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -76.19 -57.59 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.357 178.53 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -57.49 -24.88 58.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.4 179.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -75.11 -35.57 61.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.445 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -54.84 -39.33 68.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.467 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 46.5 tp -59.76 -61.31 2.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.498 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 83.6 p -60.33 -45.69 92.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.503 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 12.8 tp . . . . . 0 C--O 1.221 -0.411 0 CA-C-O 117.946 -1.026 . . . . 1.0 110.496 179.935 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 301' ' ' CYC . . . . . 0.564 ' HHA' ' O1A' ' A' ' 301' ' ' CYC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 tt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.838 0.352 . . . . 1.0 110.533 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 33' ' ' GLN . 33.1 p-10 -57.48 -38.75 75.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.525 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.486 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 96.2 mt-30 -70.47 -53.18 17.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.494 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.602 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.7 mp -50.62 -49.2 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.629 -178.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.572 HD21 HG22 ' A' ' 195' ' ' ILE . 89.7 mt -58.19 -31.27 67.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.597 -177.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.598 ' O ' HG12 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -51.75 -39.05 57.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.6 179.516 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.29 -24.21 37.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.619 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 42.2 p -72.86 -46.26 53.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.618 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 36' ' ' ARG . 3.8 p -52.62 -40.41 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.706 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.48 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 10.6 pt-20 -79.32 -34.19 42.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.622 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -62.51 -53.67 51.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.541 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.7 t -61.02 -44.51 98.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.488 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.5 ttm180 -46.76 -41.75 15.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.474 179.089 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.23 -40.62 94.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.531 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -72.94 -52.45 14.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.546 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.583 ' O ' ' N ' ' A' ' 48' ' ' THR . 20.3 mt -78.75 -0.65 31.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.505 179.209 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.4 20.62 0.03 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.929 -0.869 . . . . 1.0 110.929 178.042 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.583 ' N ' ' O ' ' A' ' 46' ' ' LEU . 2.6 m -73.93 138.43 44.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.361 . . . . 1.0 110.57 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.575 ' O ' ' N ' ' A' ' 70' ' ' GLY . 2.7 p-10 -64.34 -32.24 73.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.6 -176.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.646 HH12 ' NZ ' ' A' ' 52' ' ' LYS . 66.2 ttp85 -138.53 123.7 19.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.967 0.413 . . . . 1.0 111.013 -176.678 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.491 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 3.1 t -143.91 133.71 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.876 -0.602 . . . . 1.0 109.855 176.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.646 ' NZ ' HH12 ' A' ' 50' ' ' ARG . 23.8 pttm -141.55 155.12 45.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.975 0.417 . . . . 1.0 111.261 -178.788 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 79.4 t -103.8 139.06 25.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.75 -0.659 . . . . 1.0 109.891 178.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -122.75 118.89 29.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.934 0.397 . . . . 1.0 111.172 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -95.42 163.29 13.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.971 -0.559 . . . . 1.0 109.959 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.526 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 89.6 t80 -129.56 147.25 51.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.978 0.418 . . . . 1.0 110.842 -177.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.536 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -117.61 148.85 43.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.355 179.522 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.73 -27.52 85.13 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.744 2.296 . . . . 1.0 112.051 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -74.57 -8.38 56.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.43 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.08 21.94 21.55 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.79 -0.924 . . . . 1.0 110.79 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 75.5 m80 -116.26 138.88 50.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.877 0.37 . . . . 1.0 110.736 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.571 ' O ' HG23 ' A' ' 81' ' ' THR . . . -129.39 149.85 18.75 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.629 -0.989 . . . . 1.0 110.629 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.4 p -132.91 153.9 50.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 1.0 110.738 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.8 t -95.95 113.97 31.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.167 176.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.447 HG21 HD12 ' A' ' 35' ' ' LEU . 11.2 m -100.95 2.79 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.849 -177.226 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.401 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -163.16 150.38 12.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.908 0.385 . . . . 1.0 110.911 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 87.9 tt0 -168.18 128.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.269 -179.274 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.481 ' O ' ' HA ' ' A' ' 50' ' ' ARG . . . -119.62 152.3 37.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.841 177.301 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 75.3 mtm180 -133.85 141.59 47.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.467 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -92.9 -103.23 1.56 Allowed Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.801 -0.92 . . . . 1.0 110.801 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.93 16.36 1.54 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.79 -0.924 . . . . 1.0 110.79 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.499 ' H ' ' C ' ' A' ' 70' ' ' GLY . 47.3 mp0 50.88 53.93 12.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.782 0.325 . . . . 1.0 110.562 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.643 ' NH1' ' N ' ' A' ' 171' ' ' ALA . 8.3 ptm180 -85.75 -15.27 42.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.532 177.354 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.3 mt -132.33 152.79 80.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.484 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -72.5 169.15 22.47 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.807 2.338 . . . . 1.0 112.114 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.3 p -84.35 117.52 23.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.648 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.489 ' H ' ' CD ' ' A' ' 67' ' ' GLU . 54.0 mt -92.33 -12.98 30.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.434 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.53 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 12.9 tp -47.45 138.14 7.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.513 -178.145 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.98 -0.64 73.04 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 87.6 mt -98.29 132.37 43.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.768 0.318 . . . . 1.0 110.54 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 62' ' ' GLY . 17.3 m -94.71 123.26 38.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.571 177.742 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -92.98 138.03 23.51 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.55 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.405 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 73.5 Cg_endo -76.75 140.64 21.02 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.873 2.382 . . . . 1.0 112.144 179.287 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.29 -34.62 72.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.68 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.33 -24.81 3.88 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' A' ' 87' ' ' ILE . 54.3 p30 -53.9 -24.0 14.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 1.0 110.613 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.546 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 27.6 mt -141.99 131.75 12.49 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.552 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.07 -93.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.836 2.357 . . . . 1.0 112.173 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 19.7 pt-20 -166.69 -48.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.552 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.432 ' N ' ' CG ' ' A' ' 89' ' ' GLU . 18.8 pt-20 -47.35 -39.28 14.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.578 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.23 -43.34 78.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.599 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 95' ' ' PHE . 75.7 ttt-85 -63.08 -27.25 69.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.608 -178.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -55.09 -47.45 74.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.511 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.732 ' H ' HD12 ' A' ' 94' ' ' LEU . 7.0 mp -53.87 -37.02 63.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.523 179.258 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.665 ' HD1' ' H ' ' A' ' 95' ' ' PHE . 2.2 m-85 -61.06 -19.73 61.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.74 178.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.569 ' C ' HD12 ' A' ' 97' ' ' LEU . 46.9 mtp85 -94.57 -33.26 13.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.739 -178.366 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.608 HD12 ' N ' ' A' ' 97' ' ' LEU . 10.3 mp -106.4 -39.83 5.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.258 -177.245 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.622 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -81.29 -33.01 32.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.417 -176.202 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.595 ' NE2' ' SD ' ' A' ' 157' ' ' MET . 33.0 mm-40 31.73 57.27 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.31 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.629 HG13 ' N ' ' A' ' 101' ' ' ARG . 8.6 p -146.24 -49.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.807 177.68 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.641 ' NE ' ' CZ ' ' A' ' 95' ' ' PHE . 16.7 mmm180 45.82 98.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.275 174.658 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 102' ' ' VAL . 10.5 p -142.32 129.41 19.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.596 177.441 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 12.4 mt -110.57 130.92 63.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.714 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.699 HG12 ' N ' ' A' ' 105' ' ' ASP . 47.5 t -85.33 171.53 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.344 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.699 ' N ' HG12 ' A' ' 104' ' ' VAL . 30.6 t0 -49.02 118.92 2.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.49 -178.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.8 m -56.5 -8.83 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.604 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -76.52 -33.25 58.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.282 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.57 -13.78 10.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.311 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 49.48 62.93 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.719 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.7 p -85.66 139.47 31.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.325 175.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 76.4 mtp85 -122.53 129.68 52.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.85 -177.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.25 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.776 0.322 . . . . 1.0 110.473 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -123.36 82.16 52.72 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.619 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -51.22 142.87 34.94 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.738 2.292 . . . . 1.0 112.032 178.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.4 t -129.36 137.66 56.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.511 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -45.01 158.7 0.28 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.47 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.29 -10.67 1.38 Allowed 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.794 2.329 . . . . 1.0 111.939 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.29 -43.21 82.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.373 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.407 ' ND1' ' N ' ' A' ' 140' ' ' VAL . 1.0 OUTLIER -82.23 -27.86 32.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.234 -178.096 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.407 ' N ' ' ND1' ' A' ' 139' ' ' HIS . 9.8 t -48.31 -64.87 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.551 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 145' ' ' SER . 84.2 t60 -62.97 -40.93 99.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.462 178.491 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -49.65 -58.61 4.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.486 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.403 ' O ' HG22 ' A' ' 148' ' ' VAL . 10.3 mp -63.1 -54.5 36.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.373 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.44 -41.41 66.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.473 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 141' ' ' HIS . 40.0 t -54.76 -28.49 49.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.41 178.655 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 40.5 mtt -88.22 -2.83 58.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.469 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' GLY . . . . . 0.547 ' O ' ' NH2' ' A' ' 73' ' ' ARG . . . 70.22 23.4 77.32 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.881 -0.888 . . . . 1.0 110.881 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 148' ' ' VAL . 9.0 m -107.82 114.28 45.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.789 0.328 . . . . 1.0 110.654 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -77.02 -31.97 56.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.269 -178.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 95.9 p -109.48 152.21 25.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.903 -0.589 . . . . 1.0 110.101 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 4.2 t -149.93 104.71 3.32 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.719 -0.392 . . . . 1.0 111.082 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 62.6 tp -100.84 116.36 32.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.009 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.475 ' CG2' ' N ' ' A' ' 154' ' ' VAL . 1.3 p -118.17 155.09 20.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.051 0.453 . . . . 1.0 111.183 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.475 ' N ' ' CG2' ' A' ' 153' ' ' VAL . 1.4 t -151.81 121.78 3.54 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.677 -0.692 . . . . 1.0 109.912 -177.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 155' ' ' PRO . . . . . 0.404 ' HA ' HD12 ' A' ' 165' ' ' LEU . 89.0 Cg_endo -79.8 144.6 17.38 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.924 2.416 . . . . 1.0 112.706 -176.081 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 46.3 mt -115.66 95.43 5.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.218 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.595 ' SD ' ' NE2' ' A' ' 99' ' ' GLN . 18.5 ptm -113.65 136.54 52.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.8 -178.003 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 158' ' ' HIS . . . . . 0.583 ' ND1' ' CD2' ' A' ' 159' ' ' HIS . 4.8 t-80 -115.7 124.05 49.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.389 177.178 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.583 ' CD2' ' ND1' ' A' ' 158' ' ' HIS . 68.7 m-70 67.51 -109.61 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.329 -177.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -121.72 4.43 10.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.422 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -117.02 161.18 19.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.575 -177.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.401 ' HB3' HH21 ' A' ' 92' ' ' ARG . 9.0 tp -105.36 123.21 47.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.469 177.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -102.61 -43.64 5.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.882 -176.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -142.85 176.99 22.15 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.258 -0.737 . . . . 1.0 111.258 -177.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 165' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 155' ' ' PRO . 4.8 tp -145.45 129.34 17.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.687 0.279 . . . . 1.0 110.425 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 38.6 tp -101.0 140.86 34.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.621 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 8.6 p -147.49 148.65 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.793 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.18 144.42 44.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.381 179.162 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 169' ' ' HIS . . . . . 0.502 ' HB3' HG11 ' A' ' 148' ' ' VAL . 95.7 m-70 -143.34 142.4 31.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.786 178.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 170' ' ' HIS . . . . . 0.608 ' CG ' ' N ' ' A' ' 171' ' ' ALA . 58.1 t60 -172.48 167.82 5.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.475 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.643 ' N ' ' NH1' ' A' ' 73' ' ' ARG . . . -61.95 179.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.63 177.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -46.99 97.84 0.16 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.591 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 173' ' ' PRO . . . . . 0.472 ' CD ' ' O ' ' A' ' 171' ' ' ALA . 91.6 Cg_endo -97.27 32.89 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.87 2.38 . . . . 1.0 112.09 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 173' ' ' PRO . 71.6 mtt180 57.44 155.78 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.578 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -53.73 160.53 5.46 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.809 2.34 . . . . 1.0 112.056 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -114.13 139.5 49.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.634 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 23.0 t -89.67 142.07 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.601 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -63.72 -37.09 86.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.558 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -59.99 -49.7 76.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.448 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.06 -32.54 72.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.418 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 26.9 tp -57.89 -42.33 84.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.396 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -58.58 -52.57 65.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.364 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 59.7 t -42.25 -45.63 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.158 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 91.0 t -74.88 -36.96 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.092 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -47.72 -40.52 20.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.062 178.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 186' ' ' LEU . . . . . 0.492 HD12 ' N ' ' A' ' 186' ' ' LEU . 11.2 mp -73.2 -34.78 66.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.035 177.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 23.6 tp -57.19 -32.78 66.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.065 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 188' ' ' ALA . . . . . 0.425 ' O ' ' CG2' ' A' ' 191' ' ' VAL . . . -74.54 -28.18 60.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.105 178.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 189' ' ' ASP . . . . . 0.425 ' O ' ' OG ' ' A' ' 192' ' ' SER . 74.9 m-20 -71.64 -41.2 69.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.149 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -54.22 -58.0 9.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.153 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' A' ' 188' ' ' ALA . 14.0 m -52.73 -42.04 40.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.099 179.509 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 192' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 189' ' ' ASP . 3.1 p -47.14 -29.45 2.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.053 -0.522 . . . . 1.0 110.108 178.365 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 12.6 mm -79.5 -38.8 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.159 178.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.37 -47.92 71.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.255 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 195' ' ' ILE . . . . . 0.572 HG22 HD21 ' A' ' 35' ' ' LEU . 8.8 pt -65.51 -36.53 77.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.346 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 196' ' ' ALA . . . . . 0.451 ' HB2' ' CD2' ' A' ' 158' ' ' HIS . . . -68.44 -51.97 37.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.31 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -61.38 -24.08 66.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.377 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -74.21 -36.51 63.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.397 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -56.74 -40.6 76.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.413 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 10.5 tp -61.83 -59.77 4.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.513 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 20.8 t -61.42 -47.04 87.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.511 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.534 HD23 ' C ' ' A' ' 202' ' ' LEU . 2.7 tt . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.035 -0.983 . . . . 1.0 110.558 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.709 0.29 . . . . 1.0 110.538 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.1 p-10 -59.26 -34.27 72.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.615 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -76.57 -54.81 6.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.542 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.722 HD13 ' O ' ' A' ' 34' ' ' ILE . 0.3 OUTLIER -61.01 -31.31 49.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.575 -178.824 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.596 ' O ' HG22 ' A' ' 38' ' ' THR . 86.5 mt -78.2 -20.71 51.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.661 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 52.2 ttm-85 -70.96 -31.58 68.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.637 178.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.8 -27.3 26.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.618 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.596 HG22 ' O ' ' A' ' 35' ' ' LEU . 2.5 t -77.94 -42.52 32.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.642 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.521 ' N ' ' CG2' ' A' ' 38' ' ' THR . 11.5 p -57.77 -39.76 72.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.661 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.477 ' N ' HG13 ' A' ' 39' ' ' VAL . 25.6 pt-20 -77.27 -33.17 55.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.612 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.47 -44.74 90.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.512 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.5 t -63.82 -48.69 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.476 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.576 ' O ' ' N ' ' A' ' 47' ' ' GLY . 41.6 ttp180 -47.46 -41.35 20.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.481 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.09 -37.78 83.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.516 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -75.66 -51.22 13.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.547 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.63 ' N ' HD12 ' A' ' 46' ' ' LEU . 8.3 mp -80.23 -2.9 46.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.508 179.247 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 41.92 21.37 0.07 OUTLIER Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.997 -0.841 . . . . 1.0 110.997 178.002 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.643 ' HG1' ' CE1' ' A' ' 170' ' ' HIS . 1.2 m -73.51 138.44 45.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.78 0.324 . . . . 1.0 110.622 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.11 -40.33 64.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.573 -177.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.468 ' H ' HG22 ' A' ' 48' ' ' THR . 52.8 ttp180 -144.78 127.44 16.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.981 0.42 . . . . 1.0 111.011 -176.474 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.0 p -144.32 137.68 23.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.823 -0.626 . . . . 1.0 109.862 176.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.412 ' HG2' ' HZ3' ' A' ' 52' ' ' LYS . 23.8 pttm -143.67 166.1 25.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.146 0.498 . . . . 1.0 111.285 -177.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.764 HG12 ' HB3' ' A' ' 66' ' ' ALA . 9.8 p -109.51 139.24 33.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.681 -0.691 . . . . 1.0 109.81 178.31 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -121.34 120.62 35.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.868 0.366 . . . . 1.0 111.198 -178.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -94.44 164.6 12.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.009 -0.541 . . . . 1.0 109.936 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -130.56 144.93 51.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.901 0.381 . . . . 1.0 110.911 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.421 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 14.7 t70 -116.62 135.76 23.01 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.373 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -44.68 -29.42 3.43 Favored 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.764 2.309 . . . . 1.0 112.082 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -73.94 -8.83 57.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.383 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' A' ' 84' ' ' ALA . . . 101.59 -11.14 57.93 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.781 -0.928 . . . . 1.0 110.781 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.421 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 99.7 m-70 -85.49 140.76 30.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.911 0.386 . . . . 1.0 110.704 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -132.59 154.55 21.14 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.608 -0.997 . . . . 1.0 110.608 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.457 HG22 HG22 ' A' ' 81' ' ' THR . 73.3 p -137.35 157.59 46.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.802 0.334 . . . . 1.0 110.786 -178.166 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.8 t -101.02 115.5 42.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.144 176.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.9 m -102.75 4.0 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.806 -175.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.764 ' HB3' HG12 ' A' ' 53' ' ' VAL . . . -159.12 148.47 18.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.925 0.393 . . . . 1.0 110.86 -179.59 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -166.76 124.94 1.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.298 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -124.85 133.04 53.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.805 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.558 ' O ' ' NH1' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -118.46 142.1 47.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.533 -179.695 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.485 ' C ' ' H ' ' A' ' 72' ' ' GLU . . . -93.22 -104.7 1.67 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.86 -0.896 . . . . 1.0 110.86 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.64 0.48 1.53 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.767 -0.933 . . . . 1.0 110.767 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.485 ' H ' ' C ' ' A' ' 70' ' ' GLY . 71.9 tt0 60.54 58.01 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.85 0.357 . . . . 1.0 110.621 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -83.03 -56.75 3.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.554 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 27.2 mt -92.95 165.39 18.77 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.552 178.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -78.48 172.01 15.93 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.831 2.354 . . . . 1.0 112.131 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.488 ' OG ' ' NH2' ' A' ' 69' ' ' ARG . 22.9 t -89.47 129.3 35.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.7 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 34.4 mt -104.49 -11.19 17.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.444 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.2 tp -42.31 137.28 2.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.582 -178.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.41 0.01 73.94 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 80' ' ' LEU . 26.8 tp -93.84 127.83 39.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.725 0.298 . . . . 1.0 110.54 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.457 HG22 HG22 ' A' ' 63' ' ' THR . 5.7 p -98.27 131.04 44.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.636 178.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 23.2 m-85 -102.61 141.37 22.37 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.478 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -78.07 144.68 21.4 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.848 2.365 . . . . 1.0 112.172 178.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 60' ' ' GLY . . . -55.49 -36.16 66.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.73 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.5 -24.48 5.52 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' A' ' 87' ' ' ILE . 50.3 p-10 -55.41 -27.2 46.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.321 . . . . 1.0 110.551 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.576 ' O ' ' O ' ' A' ' 88' ' ' PRO . 93.9 mt -124.55 98.38 37.73 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.537 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.576 ' O ' ' O ' ' A' ' 87' ' ' ILE . 86.7 Cg_exo -44.69 -116.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.836 2.358 . . . . 1.0 112.165 -179.364 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.441 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 84.2 tt0 -151.87 -59.46 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.523 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -48.6 -39.82 25.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.513 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.421 ' O ' ' CD1' ' A' ' 95' ' ' PHE . . . -65.84 -35.26 80.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.544 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -73.3 -24.74 60.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.485 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -58.57 -56.56 20.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.429 -178.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.698 ' O ' ' N ' ' A' ' 98' ' ' ALA . 43.8 mt -55.58 -40.33 71.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.537 -179.224 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.421 ' CD1' ' O ' ' A' ' 91' ' ' ALA . 4.6 m-85 -55.75 -50.15 71.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.781 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.563 ' C ' HD12 ' A' ' 97' ' ' LEU . 16.6 mmm180 -54.27 -21.85 10.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.745 176.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.563 HD12 ' C ' ' A' ' 96' ' ' ARG . 10.2 mp -107.87 -26.98 10.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.233 -178.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.698 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -91.46 -37.09 13.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.042 -0.527 . . . . 1.0 110.439 -176.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 98' ' ' ALA . 83.8 mt-30 36.63 61.43 0.84 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.41 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.416 HG13 ' O ' ' A' ' 98' ' ' ALA . 2.3 m -143.15 -42.86 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.84 177.651 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.635 ' NH1' HD11 ' A' ' 165' ' ' LEU . 32.5 mtt180 49.0 92.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.222 175.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 47.4 t -144.43 126.33 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.616 178.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 9.6 mt -108.37 128.98 63.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.721 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.68 HG22 ' N ' ' A' ' 105' ' ' ASP . 14.9 p -83.14 169.99 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.253 -179.524 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.68 ' N ' HG22 ' A' ' 104' ' ' VAL . 61.8 m-20 -51.52 121.18 5.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.452 -178.61 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.9 m -57.97 -10.15 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.562 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -75.85 -35.34 59.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.313 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.07 -14.56 17.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.377 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 50.66 61.96 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.731 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.9 p -85.63 136.44 33.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.432 174.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.3 ptt85 -118.91 129.4 55.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.832 -176.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.542 ' OG ' ' N ' ' A' ' 136' ' ' ASP . 64.1 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.217 177.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.801 0.334 . . . . 1.0 110.497 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.657 ' HE ' ' N ' ' A' ' 134' ' ' PRO . 0.0 OUTLIER -133.46 86.77 39.48 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.651 -178.857 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.657 ' N ' ' HE ' ' A' ' 133' ' ' ARG . 62.0 Cg_exo -48.95 142.11 20.44 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.777 2.318 . . . . 1.0 111.937 178.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 3.4 t -131.96 139.03 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.543 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.542 ' N ' ' OG ' ' A' ' 112' ' ' SER . 1.0 OUTLIER -44.58 152.33 0.53 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.435 -179.156 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_exo -46.99 -9.43 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.818 2.346 . . . . 1.0 111.947 178.087 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' CYS . . . . . 0.489 ' H ' ' C ' ' A' ' 136' ' ' ASP . 0.0 OUTLIER -58.68 -44.08 90.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.382 179.275 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -82.75 -24.6 33.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.257 -177.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 10.1 t -50.52 -65.54 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.532 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 145' ' ' SER . 84.0 t60 -62.77 -42.08 99.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.492 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -48.92 -56.68 8.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.442 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.4 mp -64.32 -51.65 62.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.381 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.18 -40.96 78.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.454 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 141' ' ' HIS . 46.4 t -53.41 -29.73 36.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.465 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 23.0 mtt -89.42 -0.16 57.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.432 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 72.96 24.32 76.2 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 150' ' ' SER . 91.0 t -105.06 114.0 43.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.757 0.313 . . . . 1.0 110.707 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -79.03 -38.98 35.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.263 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.528 ' O ' ' CG1' ' A' ' 148' ' ' VAL . 86.6 p -123.17 157.3 33.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.097 -178.469 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 32.3 t -152.14 126.02 9.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.953 0.406 . . . . 1.0 111.06 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 66.1 tp -110.45 113.74 26.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.003 178.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.527 ' CG2' ' N ' ' A' ' 154' ' ' VAL . 1.0 OUTLIER -111.89 157.88 12.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.115 0.483 . . . . 1.0 111.245 -179.27 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.527 ' N ' ' CG2' ' A' ' 153' ' ' VAL . 86.9 t -155.02 119.66 2.55 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.687 -0.688 . . . . 1.0 109.975 -177.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 155' ' ' PRO . . . . . 0.454 ' HB3' ' NE ' ' A' ' 101' ' ' ARG . 78.9 Cg_endo -78.94 148.68 22.22 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.901 2.4 . . . . 1.0 112.69 -176.247 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 33.4 mt -118.35 95.47 4.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.246 177.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 17.6 ptm -107.56 135.06 49.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.679 -176.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 158' ' ' HIS . . . . . 0.532 ' CE1' ' CB ' ' A' ' 196' ' ' ALA . 10.2 t60 -113.98 121.78 44.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.395 176.587 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.486 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 48.0 t-80 73.51 -110.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.38 -177.56 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -122.41 -0.21 9.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.468 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -114.94 164.74 13.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.583 -177.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.606 HD12 ' N ' ' A' ' 162' ' ' LEU . 7.3 mp -104.81 123.17 47.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.438 178.313 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 163' ' ' TRP . . . . . 0.469 ' CE3' ' OE2' ' A' ' 199' ' ' GLU . 91.3 m95 -104.33 -41.7 5.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.887 -177.564 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -138.71 176.52 20.81 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.258 -0.737 . . . . 1.0 111.258 -177.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 165' ' ' LEU . . . . . 0.635 HD11 ' NH1' ' A' ' 101' ' ' ARG . 2.9 tp -148.8 130.03 14.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.76 0.314 . . . . 1.0 110.348 -179.551 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 32.8 tp -99.24 137.09 38.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.624 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 11.4 p -140.36 140.6 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.739 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 4.1 m -125.84 143.33 51.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.384 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 169' ' ' HIS . . . . . 0.401 ' HB3' HG21 ' A' ' 148' ' ' VAL . 78.1 m-70 -136.09 136.63 40.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.716 -178.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 170' ' ' HIS . . . . . 0.643 ' CE1' ' HG1' ' A' ' 48' ' ' THR . 1.1 p-80 -174.22 168.87 3.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.492 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 170' ' ' HIS . . . -55.32 -163.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.633 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -116.11 84.96 14.46 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.661 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -80.69 -62.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.848 2.365 . . . . 1.0 112.026 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -158.69 151.86 18.67 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.574 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -48.75 172.6 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.789 2.326 . . . . 1.0 112.07 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -108.5 116.34 31.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.643 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 18.3 t -67.45 140.05 57.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.552 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -63.8 -40.86 97.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.507 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.96 -62.89 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.427 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 39.5 mp0 -60.49 -31.24 70.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.395 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 27.6 tp -58.04 -36.31 72.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.393 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -67.12 -50.16 62.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.412 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 56.3 t -42.57 -51.83 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.131 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 26.7 m -73.59 -36.59 47.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.993 -0.548 . . . . 1.0 110.174 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -48.26 -39.19 20.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.095 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 21.6 tp -71.78 -34.92 69.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.071 178.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 14.9 tp -55.85 -31.52 62.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.034 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -73.92 -38.12 64.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.036 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -57.88 -41.74 83.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.197 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -52.93 -53.82 43.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.081 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 93.7 t -55.75 -42.45 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.097 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 3.1 m -50.3 -34.07 22.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.134 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.7 -35.5 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.103 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -67.99 -46.24 71.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.275 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 15.5 tt -65.4 -30.51 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.233 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 196' ' ' ALA . . . . . 0.532 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.5 -55.73 5.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.409 179.358 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -59.3 -25.22 63.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.337 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -73.66 -39.15 64.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.48 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 199' ' ' GLU . . . . . 0.469 ' OE2' ' CE3' ' A' ' 163' ' ' TRP . 84.9 mt-10 -51.36 -37.47 48.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.376 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 200' ' ' LEU . . . . . 0.611 ' N ' HD12 ' A' ' 200' ' ' LEU . 9.8 mp -57.15 -60.05 4.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.479 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 88.9 p -55.29 -43.26 74.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.534 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.522 ' N ' HD12 ' A' ' 202' ' ' LEU . 10.6 mp . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.958 -1.02 . . . . 1.0 110.591 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.1 tt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.849 0.357 . . . . 1.0 110.597 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.456 ' OD1' HG11 ' A' ' 65' ' ' VAL . 69.1 m-20 -62.58 -36.34 82.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.575 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -74.13 -53.83 9.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.53 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.9 mm -51.59 -54.12 13.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.591 -178.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 39' ' ' VAL . 29.4 mt -57.19 -32.56 66.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.612 -177.592 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.5 ttt-85 -50.13 -40.3 45.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.559 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.88 -27.16 43.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.599 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.6 p -71.31 -44.71 64.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.707 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.57 HG21 ' HB3' ' A' ' 66' ' ' ALA . 42.0 t -58.33 -38.25 68.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.653 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -70.67 -41.71 71.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.542 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.36 -41.34 93.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.452 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.6 t -66.34 -55.72 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.509 -178.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.594 ' O ' ' N ' ' A' ' 47' ' ' GLY . 5.0 ttp180 -48.73 -43.03 37.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.553 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.28 -33.31 67.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.555 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -78.72 -46.53 18.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.542 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.512 ' CB ' HG23 ' A' ' 48' ' ' THR . 71.8 mt -80.4 -9.45 59.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.519 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.594 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 51.42 25.47 12.88 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.951 -0.86 . . . . 1.0 110.951 177.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.626 ' OG1' HG23 ' A' ' 51' ' ' VAL . 43.4 p -76.31 136.51 39.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 1.0 110.581 178.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -55.87 -31.37 62.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.62 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.5 ' NH1' ' O ' ' A' ' 74' ' ' LEU . 2.3 ttm105 -148.09 125.69 11.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.936 0.398 . . . . 1.0 111.073 -177.35 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.626 HG23 ' OG1' ' A' ' 48' ' ' THR . 2.1 t -144.25 135.79 21.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.89 -0.595 . . . . 1.0 109.792 175.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -144.97 161.18 40.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.015 0.436 . . . . 1.0 111.242 -177.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.8 p -103.61 139.15 25.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.662 -0.699 . . . . 1.0 109.851 177.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.411 ' CZ ' ' HA3' ' A' ' 62' ' ' GLY . 21.5 t80 -123.78 121.26 34.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.876 0.37 . . . . 1.0 111.191 -177.476 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.0 ttt-85 -95.32 163.19 13.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.972 -0.558 . . . . 1.0 109.944 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.553 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 84.2 t80 -129.61 146.27 51.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.939 0.4 . . . . 1.0 110.873 -178.038 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.553 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 1.9 m-20 -116.42 162.57 25.85 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.299 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -72.67 -24.68 18.19 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.729 2.286 . . . . 1.0 112.065 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -77.58 -6.67 54.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.372 -178.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.25 20.25 30.73 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.862 -0.895 . . . . 1.0 110.862 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.421 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 76.4 m80 -116.81 141.41 48.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 1.0 110.707 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.411 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -135.64 157.43 23.26 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.624 -0.991 . . . . 1.0 110.624 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 67.8 p -140.26 159.35 42.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.832 0.349 . . . . 1.0 110.728 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.6 t -99.68 117.34 44.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.169 176.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.456 HG11 ' OD1' ' A' ' 32' ' ' ASP . 30.4 m -103.21 2.0 10.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.828 -175.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.57 ' HB3' HG21 ' A' ' 39' ' ' VAL . . . -164.87 155.57 14.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.919 0.39 . . . . 1.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.445 ' OE2' ' NE ' ' A' ' 50' ' ' ARG . 66.4 tt0 -165.77 124.8 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.215 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -120.82 146.0 46.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.81 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.526 ' O ' ' NH1' ' A' ' 43' ' ' ARG . 35.6 ptt85 -144.28 145.51 32.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.481 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -96.57 3.49 63.32 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.521 ' O ' ' NH1' ' A' ' 69' ' ' ARG . . . -159.46 -124.9 0.77 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.749 -0.94 . . . . 1.0 110.749 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -173.8 49.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.8 0.333 . . . . 1.0 110.533 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.419 ' NH1' ' HB2' ' A' ' 171' ' ' ALA . 38.2 ttm180 -81.13 -57.33 3.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.502 178.494 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.5 ' O ' ' NH1' ' A' ' 50' ' ' ARG . 30.6 mt -93.93 148.1 34.66 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.546 177.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.407 ' O ' ' CZ ' ' A' ' 50' ' ' ARG . 27.7 Cg_endo -62.98 165.59 16.2 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.778 2.319 . . . . 1.0 112.154 -179.173 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 31.1 t -87.11 127.73 35.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.67 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 34.8 mt -102.55 -1.39 30.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.433 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 50.3 tp -54.32 136.35 43.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.528 -178.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.41 -0.19 77.43 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.846 -0.902 . . . . 1.0 110.846 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.815 HD23 ' N ' ' A' ' 81' ' ' THR . 4.1 tt -94.96 129.93 41.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.35 . . . . 1.0 110.55 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.815 ' N ' HD23 ' A' ' 80' ' ' LEU . 9.8 t -95.44 127.48 41.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.676 178.219 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 28.4 m-85 -101.72 148.64 35.56 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.476 -179.096 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.83 146.06 14.57 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.865 2.376 . . . . 1.0 112.167 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.37 -35.58 76.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.583 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.68 -23.7 7.0 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.993 -0.843 . . . . 1.0 110.993 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -56.52 -31.46 64.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 1.0 110.577 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.475 ' O ' ' O ' ' A' ' 88' ' ' PRO . 7.1 mt -127.23 89.05 52.69 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.609 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.475 ' O ' ' O ' ' A' ' 87' ' ' ILE . 63.1 Cg_exo -33.83 -101.1 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.867 2.378 . . . . 1.0 112.179 -178.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.427 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 82.1 tt0 -169.06 -32.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.566 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -64.57 -38.84 92.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.555 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.0 -33.19 75.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.524 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -70.19 -23.13 62.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.453 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.576 ' O ' ' N ' ' A' ' 97' ' ' LEU . 94.0 mtt180 -56.43 -57.83 10.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.444 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.536 ' O ' ' N ' ' A' ' 98' ' ' ALA . 21.4 mt -54.92 -37.45 66.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.504 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.414 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 8.0 m-85 -65.14 -42.09 94.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.756 178.486 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 45.8 mtm-85 -86.6 -17.09 34.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.71 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.576 ' N ' ' O ' ' A' ' 93' ' ' ARG . 22.8 tp -102.1 -51.63 3.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.277 -176.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -102.61 -10.79 18.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.442 -176.16 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.487 ' C ' ' O ' ' A' ' 98' ' ' ALA . 89.7 mt-30 34.99 63.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.338 178.307 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.632 ' C ' ' HE ' ' A' ' 101' ' ' ARG . 15.4 t -107.21 -50.8 7.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.781 176.665 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.632 ' HE ' ' C ' ' A' ' 100' ' ' VAL . 0.2 OUTLIER 56.45 64.23 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.284 173.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.65 ' C ' HD12 ' A' ' 103' ' ' ILE . 12.3 p -146.04 124.26 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.62 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.65 HD12 ' C ' ' A' ' 102' ' ' VAL . 1.7 mp -111.19 132.91 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.778 178.01 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -83.64 171.42 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.335 -178.313 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -50.69 120.33 4.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.458 -178.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 15.6 m -57.07 -8.28 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.547 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -78.22 -31.52 49.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.342 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.57 -12.61 6.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.362 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 48.53 60.24 3.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.678 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.14 140.67 29.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.37 175.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 83.0 mtm-85 -122.57 128.99 51.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.855 -177.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.2 t . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.234 178.309 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.76 0.314 . . . . 1.0 110.503 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.607 ' CA ' ' HE ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -114.81 105.26 53.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.665 -179.287 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -80.05 140.96 14.51 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.725 2.284 . . . . 1.0 112.02 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.867 HG21 ' ND1' ' A' ' 139' ' ' HIS . 18.1 m -132.27 142.13 43.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.509 -178.585 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -40.15 155.77 0.18 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.451 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.728 ' O ' HG22 ' A' ' 140' ' ' VAL . 15.9 Cg_endo -58.73 -49.18 12.3 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.774 2.316 . . . . 1.0 111.888 -178.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -47.21 -18.89 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.388 -179.375 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.867 ' ND1' HG21 ' A' ' 135' ' ' VAL . 42.9 t-80 -90.87 -49.48 6.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.265 177.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 137' ' ' PRO . 2.4 m -54.16 -42.76 57.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.969 -0.559 . . . . 1.0 110.54 -178.318 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.513 ' N ' ' CG2' ' A' ' 140' ' ' VAL . 86.2 t60 -67.51 -42.78 82.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.492 177.595 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' TYR . . . . . 0.428 ' CE2' ' CE ' ' A' ' 146' ' ' MET . 39.5 t80 -46.98 -43.4 19.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.414 178.288 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.411 ' N ' HD12 ' A' ' 143' ' ' LEU . 11.0 mp -69.25 -48.18 62.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.419 177.739 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -57.54 -39.67 77.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.46 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 29.0 m -52.59 -28.28 20.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.506 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' MET . . . . . 0.428 ' CE ' ' CE2' ' A' ' 142' ' ' TYR . 28.0 mtt -93.07 1.31 57.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.465 177.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 70.87 22.06 78.23 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.931 -0.867 . . . . 1.0 110.931 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.623 HG21 ' HB3' ' A' ' 169' ' ' HIS . 81.2 t -107.24 113.71 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.72 0.295 . . . . 1.0 110.753 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -91.17 -22.14 20.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.197 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.438 ' O ' ' CG1' ' A' ' 148' ' ' VAL . 24.9 t -110.69 136.18 50.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.192 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 2.2 t -142.62 120.88 12.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.914 0.388 . . . . 1.0 111.11 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 19.6 tp -118.88 135.95 54.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.998 -0.546 . . . . 1.0 109.994 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.435 ' C ' HG23 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -127.12 154.18 37.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.123 0.487 . . . . 1.0 111.195 -178.863 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.435 HG23 ' C ' ' A' ' 153' ' ' VAL . 93.9 t -156.28 79.34 4.01 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.687 -0.688 . . . . 1.0 109.973 -179.23 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 155' ' ' PRO . . . . . 0.43 ' HA ' HD12 ' A' ' 165' ' ' LEU . 52.7 Cg_exo -51.31 154.26 8.51 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.993 2.462 . . . . 1.0 112.676 -176.622 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 31.5 mt -117.52 96.72 5.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.859 -0.61 . . . . 1.0 110.195 178.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 20.8 ptm -108.12 136.69 47.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.741 -177.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' HIS . . . . . 0.509 ' CE1' ' CB ' ' A' ' 196' ' ' ALA . 38.1 t60 -111.25 124.0 51.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.43 176.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.448 ' CE1' ' NE2' ' A' ' 158' ' ' HIS . 5.8 m-70 63.77 -103.31 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.447 -177.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -123.86 -0.11 8.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.411 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -111.4 160.09 17.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.516 -176.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 6.0 tt -107.29 122.33 46.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.401 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' TRP . . . . . 0.4 ' NE1' ' HB3' ' A' ' 158' ' ' HIS . 93.8 m95 -103.36 -39.37 6.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.921 -176.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -140.73 176.66 21.36 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.226 -0.749 . . . . 1.0 111.226 -177.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 165' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 155' ' ' PRO . 26.7 tp -146.4 129.1 16.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.768 0.318 . . . . 1.0 110.405 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 5.8 tp -99.71 142.56 31.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.615 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 9.0 p -151.29 142.28 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.693 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 168' ' ' SER . . . . . 0.504 ' O ' ' ND1' ' A' ' 169' ' ' HIS . 13.2 p -126.99 146.16 50.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.417 178.574 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 169' ' ' HIS . . . . . 0.623 ' HB3' HG21 ' A' ' 148' ' ' VAL . 9.7 m80 -142.5 134.55 27.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.78 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -172.59 169.87 4.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.518 -178.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.419 ' HB2' ' NH1' ' A' ' 73' ' ' ARG . . . -54.58 -171.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.622 179.162 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -115.84 86.34 16.03 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.6 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -81.44 -59.95 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.881 2.388 . . . . 1.0 112.061 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -153.73 152.07 26.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.532 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -50.02 168.96 0.15 Allowed 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.711 2.274 . . . . 1.0 112.062 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -113.43 142.12 46.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.581 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 31.8 t -90.37 131.82 35.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.56 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -67.14 -39.59 86.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.505 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -60.6 -59.29 5.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.431 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -59.45 -34.08 72.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.471 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 27.5 tp -60.74 -38.39 85.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.451 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 182' ' ' GLN . . . . . 0.526 ' NE2' ' OE1' ' A' ' 185' ' ' GLN . 60.2 tp60 -56.84 -53.98 51.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.284 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 97.6 t -43.42 -42.03 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.148 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 184' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 187' ' ' LEU . 90.2 t -72.65 -38.93 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.164 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.526 ' OE1' ' NE2' ' A' ' 182' ' ' GLN . 56.0 tt0 -46.27 -36.99 6.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.082 178.105 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 186' ' ' LEU . . . . . 0.516 HD12 ' N ' ' A' ' 186' ' ' LEU . 9.9 mp -69.31 -36.35 76.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.006 177.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 187' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 187' ' ' LEU . 1.1 tt -55.24 -31.2 61.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.079 178.272 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -73.82 -38.91 64.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.079 178.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -57.02 -41.39 78.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.243 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 190' ' ' GLN . . . . . 0.592 ' O ' HG22 ' A' ' 193' ' ' ILE . 97.6 mm-40 -53.26 -55.82 21.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.152 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 194' ' ' ALA . 82.4 t -53.76 -40.36 43.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.131 178.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 3.5 p -47.1 -29.59 2.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.078 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 193' ' ' ILE . . . . . 0.592 HG22 ' O ' ' A' ' 190' ' ' GLN . 3.3 tt -80.07 -33.24 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.082 179.033 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 194' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 191' ' ' VAL . . . -72.28 -47.48 49.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.248 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 195' ' ' ILE . . . . . 0.435 HG23 ' N ' ' A' ' 196' ' ' ALA . 21.0 tt -63.18 -37.9 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.257 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 196' ' ' ALA . . . . . 0.509 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.32 -53.85 8.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.413 179.114 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -59.67 -26.85 65.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.379 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 198' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 194' ' ' ALA . . . -73.95 -38.4 64.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.432 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -52.98 -36.62 60.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.358 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 38.9 mt -62.02 -57.21 12.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.449 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 19.6 m -55.39 -43.49 75.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.46 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.59 ' N ' HD12 ' A' ' 202' ' ' LEU . 10.3 mp . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.962 -1.018 . . . . 1.0 110.539 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.0 tp . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.769 0.319 . . . . 1.0 110.575 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 33' ' ' GLN . 31.3 p-10 -66.42 -33.31 75.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.574 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.407 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 96.2 mt-30 -76.94 -54.61 6.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.586 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.722 HD13 ' O ' ' A' ' 34' ' ' ILE . 0.3 OUTLIER -56.9 -35.07 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.544 -178.484 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' A' ' 35' ' ' LEU . 79.3 mt -74.64 -27.81 60.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.655 -179.334 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -56.96 -35.02 68.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.602 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.47 -26.38 32.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.644 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 34' ' ' ILE . 68.5 p -73.49 -47.31 42.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.633 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 40' ' ' GLU . 7.6 p -58.7 -35.92 57.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.682 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.409 ' N ' HG13 ' A' ' 39' ' ' VAL . 94.6 mt-10 -74.87 -45.13 45.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.576 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -60.62 -39.97 90.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.489 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.0 t -65.58 -55.77 18.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.526 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.574 ' O ' ' N ' ' A' ' 47' ' ' GLY . 9.3 tmm_? -51.67 -41.52 61.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.499 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.2 80.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.552 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -80.02 -48.15 13.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.551 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.0 mt -79.62 -8.15 59.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.567 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 39.5 66.96 0.66 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.994 -0.842 . . . . 1.0 110.994 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.5 ' HB ' ' ND1' ' A' ' 170' ' ' HIS . 0.1 OUTLIER -119.37 139.96 51.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.879 0.371 . . . . 1.0 110.61 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.595 ' CG ' ' HE ' ' A' ' 73' ' ' ARG . 74.5 m-20 -47.74 -37.41 13.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.614 -176.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -149.16 130.02 14.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.967 0.413 . . . . 1.0 111.011 -177.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.475 HG23 ' OG1' ' A' ' 48' ' ' THR . 45.3 t -140.56 131.25 28.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.846 -0.615 . . . . 1.0 109.817 175.114 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -145.55 151.84 38.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.099 0.476 . . . . 1.0 111.234 -177.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 90.1 t -98.1 138.39 22.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.699 -0.682 . . . . 1.0 109.856 177.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -122.47 120.13 32.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 1.0 111.146 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.1 mtm180 -95.97 166.3 11.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.0 -0.546 . . . . 1.0 109.932 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.523 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 82.3 t80 -130.48 146.67 52.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.959 0.409 . . . . 1.0 110.89 -178.205 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.523 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 22.7 m-20 -116.95 148.5 42.32 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.291 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.76 -25.12 74.68 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.682 2.255 . . . . 1.0 112.038 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -77.34 -4.94 47.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.413 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.32 21.45 32.28 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.416 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 79.0 m80 -117.84 141.99 47.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 1.0 110.777 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -133.54 154.94 21.49 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.622 -0.991 . . . . 1.0 110.622 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.0 p -135.12 156.29 49.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.781 0.324 . . . . 1.0 110.746 -178.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.4 t -96.73 113.49 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.184 176.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.4 p -103.57 1.58 10.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.804 -175.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -162.31 149.56 13.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.375 . . . . 1.0 110.909 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.473 ' CD ' ' O ' ' A' ' 67' ' ' GLU . 2.0 pp20? -164.94 125.89 2.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.277 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -124.25 149.39 46.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.764 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.527 ' NH1' ' O ' ' A' ' 71' ' ' GLY . 36.4 ptt85 -146.28 148.13 32.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.02 -0.537 . . . . 1.0 110.509 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.92 -19.15 25.11 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.527 ' O ' ' NH1' ' A' ' 69' ' ' ARG . . . -130.28 -127.69 2.93 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.743 -0.943 . . . . 1.0 110.743 178.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -174.04 62.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.776 0.322 . . . . 1.0 110.618 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.595 ' HE ' ' CG ' ' A' ' 49' ' ' ASP . 8.6 ptp180 -91.91 -16.51 26.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.559 177.587 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.2 mt -134.36 164.15 46.1 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.477 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -81.63 174.84 10.04 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.705 2.27 . . . . 1.0 112.111 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.9 p -88.64 130.85 35.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.665 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.0 mt -102.38 -11.29 18.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.476 -178.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.2 tp -42.87 134.07 3.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.545 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.26 -1.44 79.75 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.419 HD23 ' CZ ' ' A' ' 82' ' ' PHE . 34.9 tp -94.55 127.92 40.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.789 0.328 . . . . 1.0 110.554 -179.36 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.451 ' O ' HG23 ' A' ' 81' ' ' THR . 10.1 t -96.98 128.46 43.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.636 178.745 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.419 ' CZ ' HD23 ' A' ' 80' ' ' LEU . 22.6 m-85 -99.4 140.75 21.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.533 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -75.53 139.57 23.09 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.818 2.345 . . . . 1.0 112.188 178.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.38 -33.23 65.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.605 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.69 -24.91 6.27 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.026 -0.83 . . . . 1.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -55.46 -31.42 61.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 1.0 110.607 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 8.3 mt -133.98 90.0 27.82 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.499 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.477 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 79.7 Cg_exo -37.72 -94.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.885 2.39 . . . . 1.0 112.079 -178.219 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.477 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 83.1 tt0 -170.08 -49.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.579 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -48.09 -38.6 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.588 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.455 ' O ' ' CD2' ' A' ' 95' ' ' PHE . . . -66.7 -41.25 88.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.57 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -60.14 -22.58 63.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.555 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 58.9 mtp85 -68.04 -52.58 33.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.502 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.634 HD12 ' N ' ' A' ' 94' ' ' LEU . 9.1 mp -44.6 -55.41 5.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.422 -178.479 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.566 ' O ' ' N ' ' A' ' 99' ' ' GLN . 9.2 m-85 -66.85 -30.16 70.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.765 -178.291 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.501 ' C ' HD12 ' A' ' 97' ' ' LEU . 28.3 ttp180 -63.94 -25.48 68.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.697 175.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.501 HD12 ' C ' ' A' ' 96' ' ' ARG . 11.0 mp -107.43 -31.18 8.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.213 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.684 ' CB ' HH12 ' A' ' 133' ' ' ARG . . . -94.59 -30.28 14.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.376 -177.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.566 ' N ' ' O ' ' A' ' 95' ' ' PHE . 91.4 mt-30 38.32 66.09 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.341 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.6 m -136.4 -42.79 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.77 177.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.786 ' HB3' HG13 ' A' ' 153' ' ' VAL . 24.4 mmt180 53.09 82.1 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.383 -0.372 . . . . 1.0 110.231 176.363 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.651 ' C ' HD12 ' A' ' 103' ' ' ILE . 34.2 m -146.94 122.7 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.605 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.698 HD12 ' N ' ' A' ' 103' ' ' ILE . 1.9 mp -109.33 136.42 45.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.701 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.8 m -81.81 171.71 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.297 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.401 ' OD1' ' OE2' ' A' ' 172' ' ' GLU . 0.3 OUTLIER -47.04 118.35 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.478 -178.485 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.9 m -58.29 -11.23 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.495 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.426 ' H ' ' HG2' ' A' ' 107' ' ' GLU . 15.4 pt-20 -79.98 -28.15 39.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.362 179.295 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.05 -12.7 8.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.378 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 50.62 61.69 3.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.667 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.8 p -86.1 139.47 31.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.367 175.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -122.26 129.32 52.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.822 -177.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.504 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 6.4 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.268 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.814 0.34 . . . . 1.0 110.423 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.684 HH12 ' CB ' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -115.66 108.56 46.83 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.725 -179.581 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -80.25 144.39 16.38 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.718 2.279 . . . . 1.0 111.977 178.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.522 HG21 ' ND1' ' A' ' 139' ' ' HIS . 34.6 m -126.44 136.19 61.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.577 -179.027 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.504 ' HA ' ' H ' ' A' ' 112' ' ' SER . 0.1 OUTLIER -44.23 157.5 0.29 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.502 179.244 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.66 -30.13 82.5 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.819 2.346 . . . . 1.0 111.924 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 139' ' ' HIS . 0.0 OUTLIER -53.22 -39.26 63.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.353 179.452 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.522 ' ND1' HG21 ' A' ' 135' ' ' VAL . 48.0 t-80 -81.79 -36.92 27.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.275 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 65.2 t -49.98 -55.06 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.494 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -64.83 -39.15 93.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.436 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -45.47 -49.77 13.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.499 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.486 HD11 ' CE1' ' A' ' 139' ' ' HIS . 76.9 mt -67.16 -51.03 58.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.4 178.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -53.71 -39.82 65.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.414 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.9 t -55.08 -28.1 49.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.59 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 23.3 mtt -89.34 0.29 56.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.464 177.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 69.96 25.39 75.65 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 178.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.641 HG13 ' O ' ' A' ' 148' ' ' VAL . 6.2 p -110.03 119.69 59.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.766 0.317 . . . . 1.0 110.668 179.168 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -82.57 -33.57 28.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.241 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.603 ' O ' HG22 ' A' ' 148' ' ' VAL . 73.8 m -110.16 146.65 35.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.152 -178.475 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.09 106.0 5.42 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.806 -0.357 . . . . 1.0 111.103 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 22.7 tp -101.94 117.01 33.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.05 -0.523 . . . . 1.0 109.972 178.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.786 HG13 ' HB3' ' A' ' 101' ' ' ARG . 2.4 p -128.57 158.38 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.282 -178.111 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.496 ' N ' ' CG2' ' A' ' 153' ' ' VAL . 10.6 t -150.34 137.09 11.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.649 -0.705 . . . . 1.0 109.926 -178.253 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -94.1 148.77 2.05 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.941 2.427 . . . . 1.0 112.693 -175.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 32.8 mt -117.67 98.05 6.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.196 178.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 41.5 mtp -108.24 124.45 50.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.768 -178.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' HIS . . . . . 0.635 ' ND1' ' NE2' ' A' ' 159' ' ' HIS . 4.4 t-80 -109.58 124.34 50.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.425 176.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.635 ' NE2' ' ND1' ' A' ' 158' ' ' HIS . 70.8 m-70 68.47 -112.09 0.12 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.452 -177.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -121.06 0.93 10.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.455 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -117.55 166.78 11.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.54 -177.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 5.9 tt -104.42 121.18 42.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.467 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' TRP . . . . . 0.425 ' CD1' ' HB3' ' A' ' 158' ' ' HIS . 59.7 m95 -103.1 -43.47 5.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.849 -176.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -136.95 176.64 20.32 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.28 -0.728 . . . . 1.0 111.28 -177.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.3 tp -150.0 125.37 10.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.744 0.307 . . . . 1.0 110.477 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.433 ' O ' ' O ' ' A' ' 154' ' ' VAL . 60.4 tp -99.14 135.9 39.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.561 178.319 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 14.8 p -142.59 146.46 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.672 -178.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 46.7 t -135.43 146.1 47.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.364 178.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -139.18 140.43 37.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.794 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 170' ' ' HIS . . . . . 0.5 ' ND1' ' HB ' ' A' ' 48' ' ' THR . 1.3 p-80 -172.43 168.97 5.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.496 -178.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -53.8 -172.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.621 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 172' ' ' GLU . . . . . 0.401 ' OE2' ' OD1' ' A' ' 105' ' ' ASP . 45.7 tt0 -120.33 80.47 29.08 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.6 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -84.47 -42.36 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.857 2.371 . . . . 1.0 112.171 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -154.5 154.11 28.93 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.575 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -68.28 178.46 3.65 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.826 2.351 . . . . 1.0 112.04 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -113.89 132.26 55.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.575 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 25.7 t -82.66 143.41 30.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.527 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -66.47 -42.11 88.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.465 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -60.79 -54.44 45.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.496 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -65.6 -29.08 69.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.421 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 31.5 tp -60.4 -31.25 70.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.386 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -71.01 -52.45 19.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.342 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 61.8 t -42.95 -48.68 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.152 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 184' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 187' ' ' LEU . 31.3 m -73.85 -37.24 47.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.217 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -47.05 -37.29 9.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.081 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 59.3 mt -73.08 -33.11 65.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.062 178.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 187' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 184' ' ' VAL . 9.7 tp -56.47 -32.69 65.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.019 178.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -74.26 -38.65 63.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.076 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -56.36 -41.25 75.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.149 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -54.32 -54.14 44.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.174 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 94.9 t -54.93 -44.31 72.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.116 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 6.4 t -48.56 -34.19 11.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.137 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 70.0 mt -79.48 -32.7 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.171 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -68.03 -44.54 76.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.266 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 12.5 tt -65.19 -32.49 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.231 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 196' ' ' ALA . . . . . 0.509 ' HB2' ' CD2' ' A' ' 158' ' ' HIS . . . -76.3 -57.54 3.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.402 178.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -55.33 -26.62 41.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.385 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -75.3 -36.18 61.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.432 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -49.57 -36.63 24.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.443 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 42.6 mt -53.0 -60.82 2.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.493 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 27.8 m -49.02 -39.62 27.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.445 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.584 ' N ' HD12 ' A' ' 202' ' ' LEU . 10.2 mp . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.952 -1.023 . . . . 1.0 110.557 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 22.1 tp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.848 0.356 . . . . 1.0 110.537 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -68.83 -31.54 70.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.598 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -78.04 -52.24 9.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.586 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.2 tp -62.66 -29.3 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.534 -178.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.457 ' O ' HG22 ' A' ' 38' ' ' THR . 82.6 mt -79.48 -22.73 43.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.619 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -76.21 -39.72 53.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.529 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.86 -34.3 45.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.608 -177.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.532 ' CG2' ' N ' ' A' ' 39' ' ' VAL . 4.3 t -65.92 -43.91 86.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.636 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.532 ' N ' ' CG2' ' A' ' 38' ' ' THR . 10.7 t -57.08 -36.83 52.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.68 178.69 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.06 -35.67 79.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.581 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -65.92 -41.84 90.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.513 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.1 t -61.55 -41.5 90.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.543 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.574 ' O ' ' N ' ' A' ' 47' ' ' GLY . 1.2 tmm_? -58.86 -51.96 67.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.537 179.369 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.452 ' N ' ' HE ' ' A' ' 43' ' ' ARG . . . -59.47 -41.12 89.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.505 -179.234 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -75.22 -53.9 8.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.569 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.54 ' O ' ' N ' ' A' ' 48' ' ' THR . 1.3 tp -77.67 -3.21 39.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.54 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 42.47 19.13 0.05 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 178.315 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.54 ' N ' ' O ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -73.13 139.04 46.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.825 0.345 . . . . 1.0 110.634 179.816 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.49 ' OD2' ' CZ ' ' A' ' 73' ' ' ARG . 72.2 m-20 -53.8 -37.13 63.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.63 -177.085 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.496 ' NH2' ' SD ' ' A' ' 146' ' ' MET . 60.2 ttp180 -146.38 128.58 15.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.957 0.408 . . . . 1.0 111.045 -176.224 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.427 HG13 HG21 ' A' ' 48' ' ' THR . 0.0 OUTLIER -141.15 134.64 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.822 -0.626 . . . . 1.0 109.853 175.415 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -145.32 153.51 41.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.032 0.444 . . . . 1.0 111.241 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.491 HG23 ' CG2' ' A' ' 39' ' ' VAL . 30.8 t -96.29 136.31 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.697 -0.683 . . . . 1.0 109.841 177.094 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -117.81 117.0 28.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.845 0.355 . . . . 1.0 111.2 -178.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.434 ' NE ' HG11 ' A' ' 65' ' ' VAL . 56.8 mtm180 -95.43 163.06 13.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.994 -0.548 . . . . 1.0 109.892 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.53 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 85.1 t80 -129.83 146.12 51.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.892 0.377 . . . . 1.0 110.914 -178.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.53 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 1.1 m-20 -113.7 148.07 39.0 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.293 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -60.84 -24.43 79.09 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.71 2.273 . . . . 1.0 112.063 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -77.53 -9.77 59.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.43 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 98.96 23.07 11.97 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.821 -0.912 . . . . 1.0 110.821 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -115.29 136.11 53.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 1.0 110.68 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -123.81 143.53 14.97 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.645 -0.982 . . . . 1.0 110.645 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.428 HG22 HG22 ' A' ' 81' ' ' THR . 81.7 p -133.33 153.3 51.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.81 0.338 . . . . 1.0 110.752 -178.009 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.707 ' CG1' ' H ' ' A' ' 79' ' ' GLY . 7.5 p -103.19 118.4 50.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.158 176.146 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.434 HG11 ' NE ' ' A' ' 55' ' ' ARG . 17.5 m -107.12 3.33 10.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.825 -175.312 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -157.31 145.25 19.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.92 0.39 . . . . 1.0 110.858 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.529 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 89.3 tt0 -167.41 126.42 1.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.215 179.058 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -128.19 145.94 50.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.769 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.453 ' C ' HH11 ' A' ' 43' ' ' ARG . 80.3 mtm180 -134.78 145.08 48.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.451 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -95.64 -53.89 1.5 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -91.67 -131.21 5.18 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.695 -0.962 . . . . 1.0 110.695 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.0 tp10 -173.25 56.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 1.0 110.588 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.49 ' CZ ' ' OD2' ' A' ' 49' ' ' ASP . 16.8 ptp180 -90.92 -48.15 7.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.462 177.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.449 ' O ' ' NH1' ' A' ' 69' ' ' ARG . 10.0 mt -103.12 148.87 36.29 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.511 178.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -66.88 175.17 5.74 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.739 2.292 . . . . 1.0 112.127 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 32.9 t -90.63 136.51 33.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.697 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.482 ' O ' ' C ' ' A' ' 78' ' ' LEU . 30.1 mt -109.2 -15.49 14.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.476 -179.052 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.529 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 8.4 tp -33.59 136.1 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.521 -178.012 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.707 ' H ' ' CG1' ' A' ' 64' ' ' VAL . . . 92.12 0.37 71.13 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.432 HD23 ' CZ ' ' A' ' 82' ' ' PHE . 30.8 tp -86.41 125.07 33.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.769 0.318 . . . . 1.0 110.54 -179.166 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.428 HG22 HG22 ' A' ' 63' ' ' THR . 14.3 p -101.5 129.19 47.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.648 177.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 4.0 m-85 -103.42 147.58 34.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.509 -179.121 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -79.97 145.65 17.77 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.854 2.369 . . . . 1.0 112.167 177.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.31 -38.4 71.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.691 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.85 -23.6 7.21 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.006 -0.837 . . . . 1.0 111.006 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -55.25 -26.54 40.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.745 0.307 . . . . 1.0 110.525 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.465 ' O ' ' O ' ' A' ' 88' ' ' PRO . 93.9 mt -134.54 93.18 18.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.53 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.465 ' O ' ' O ' ' A' ' 87' ' ' ILE . 85.6 Cg_exo -40.39 -103.54 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.775 2.316 . . . . 1.0 112.203 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.462 ' HG2' ' H ' ' A' ' 90' ' ' GLU . 1.1 pm0 -162.24 -53.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.51 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.462 ' H ' ' HG2' ' A' ' 89' ' ' GLU . 20.0 pt-20 -46.2 -39.83 10.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.553 -177.508 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.34 -43.69 73.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.569 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -67.42 -27.5 67.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.542 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 59.5 mtp85 -59.67 -52.89 63.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.523 -178.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.488 ' HG ' ' HB3' ' A' ' 98' ' ' ALA . 18.0 tp -52.31 -44.56 65.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.469 -178.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.437 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 7.4 m-85 -55.1 -31.12 60.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.782 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 70.3 mtm180 -84.91 -18.48 34.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.696 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.9 mp -103.15 -50.97 3.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.235 -177.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.488 ' HB3' ' HG ' ' A' ' 94' ' ' LEU . . . -99.52 -15.55 18.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.49 -174.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.482 ' C ' ' O ' ' A' ' 98' ' ' ALA . 90.4 mt-30 34.66 61.63 0.56 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.34 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.596 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 35.2 m -93.39 -44.52 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.77 177.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.596 ' CG ' ' O ' ' A' ' 100' ' ' VAL . 46.8 ptt85 47.1 49.55 14.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.338 173.681 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.614 ' C ' HD12 ' A' ' 103' ' ' ILE . 11.8 p -144.62 125.63 8.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.617 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.614 HD12 ' C ' ' A' ' 102' ' ' VAL . 1.6 mp -112.66 134.81 54.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.7 179.382 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.432 HG22 ' H ' ' A' ' 104' ' ' VAL . 0.2 OUTLIER -84.47 171.67 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.289 -179.269 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -51.18 121.9 6.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.45 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 15.5 m -58.98 -9.72 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.547 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -75.71 -34.63 60.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.304 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.33 -10.62 2.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.356 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 47.02 62.42 2.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.729 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.74 136.63 33.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.393 175.066 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 74.6 mtp85 -120.55 132.18 55.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.835 -176.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.443 ' O ' ' CG ' ' A' ' 136' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.242 177.626 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLN . . . . . 0.441 ' O ' ' NE2' ' A' ' 132' ' ' GLN . 4.9 pp0? . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.815 0.34 . . . . 1.0 110.431 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -112.37 103.48 55.44 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.693 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -48.5 146.96 9.76 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.743 2.295 . . . . 1.0 111.985 177.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -127.82 137.78 56.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.562 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 136' ' ' ASP . 0.3 OUTLIER -42.29 150.74 0.38 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.493 -179.704 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -50.54 -10.29 0.26 Allowed 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.854 2.369 . . . . 1.0 111.918 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' CYS . . . . . 0.42 ' H ' ' C ' ' A' ' 136' ' ' ASP . 0.7 OUTLIER -68.85 -43.15 76.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.386 179.127 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.631 ' NE2' HD11 ' A' ' 143' ' ' LEU . 0.0 OUTLIER -82.39 -41.2 20.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.302 -175.357 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.61 ' CG2' ' N ' ' A' ' 141' ' ' HIS . 1.7 m -54.71 -48.96 71.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.527 -178.163 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.61 ' N ' ' CG2' ' A' ' 140' ' ' VAL . 83.4 t60 -69.45 -41.91 75.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.448 178.023 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' TYR . . . . . 0.506 ' CZ ' ' CE ' ' A' ' 146' ' ' MET . 52.5 t80 -45.8 -42.75 12.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.459 178.346 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.631 HD11 ' NE2' ' A' ' 139' ' ' HIS . 83.9 mt -71.37 -48.38 50.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.454 177.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -57.86 -42.86 85.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.472 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 25.9 m -54.6 -27.7 41.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.417 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' MET . . . . . 0.506 ' CE ' ' CZ ' ' A' ' 142' ' ' TYR . 28.8 mtt -92.59 0.04 57.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.465 177.711 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 71.74 24.88 76.11 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 178.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.563 ' CG2' ' O ' ' A' ' 150' ' ' SER . 0.4 OUTLIER -113.02 122.06 66.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.836 0.351 . . . . 1.0 110.616 178.844 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -89.84 -24.57 21.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.293 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.563 ' O ' ' CG2' ' A' ' 148' ' ' VAL . 50.2 m -108.06 135.03 50.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.18 -178.646 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.473 ' OG ' HG21 ' A' ' 103' ' ' ILE . 1.4 p -136.73 116.72 13.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.884 0.374 . . . . 1.0 111.127 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 21.5 tp -116.64 134.11 55.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.009 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.416 ' C ' ' CG2' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -126.81 156.88 38.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.046 0.451 . . . . 1.0 111.254 -178.609 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.416 ' CG2' ' C ' ' A' ' 153' ' ' VAL . 1.4 t -151.42 76.08 7.73 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 115.727 -0.67 . . . . 1.0 109.963 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_exo -47.57 145.19 9.38 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.972 2.448 . . . . 1.0 112.688 -176.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 28.9 mt -111.86 96.82 6.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.222 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 17.9 ptm -112.58 134.54 54.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.796 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' HIS . . . . . 0.524 ' CE1' ' CB ' ' A' ' 196' ' ' ALA . 29.3 t60 -112.71 124.16 51.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.425 177.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.411 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 37.2 t-80 67.4 -110.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.408 -178.288 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 160' ' ' GLN . . . . . 0.401 ' N ' ' CG ' ' A' ' 159' ' ' HIS . 23.5 tt0 -120.11 3.04 10.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.427 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.54 ' C ' HD12 ' A' ' 162' ' ' LEU . 58.9 mm-40 -114.47 163.32 15.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.559 -177.439 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 162' ' ' LEU . 10.5 mp -104.64 122.06 44.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.485 177.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 50.8 m95 -104.97 -41.63 5.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.909 -176.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -143.25 175.15 23.48 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.306 -0.718 . . . . 1.0 111.306 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.6 tp -146.4 134.18 21.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.747 0.308 . . . . 1.0 110.451 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 40.7 tp -104.75 143.17 33.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.618 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 13.0 p -148.01 136.71 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.692 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 168' ' ' SER . . . . . 0.572 ' O ' ' ND1' ' A' ' 169' ' ' HIS . 2.5 m -123.99 142.51 51.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.358 179.151 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 169' ' ' HIS . . . . . 0.572 ' ND1' ' O ' ' A' ' 168' ' ' SER . 12.2 m-70 -142.78 137.69 29.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.723 -179.295 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -171.22 169.35 6.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.487 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.416 ' HB2' ' NH1' ' A' ' 73' ' ' ARG . . . -55.51 -171.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.617 178.384 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 172' ' ' GLU . . . . . 0.486 ' O ' ' OE1' ' A' ' 172' ' ' GLU . 0.0 OUTLIER -117.51 79.53 12.29 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.619 179.762 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -83.66 -55.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.856 2.37 . . . . 1.0 112.167 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 11.9 mtp-105 -144.79 153.25 54.0 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.524 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.17 175.17 5.08 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.812 2.341 . . . . 1.0 112.079 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 176' ' ' TYR . . . . . 0.473 ' CD1' ' O ' ' A' ' 176' ' ' TYR . 30.2 p90 -119.61 133.88 55.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.618 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 53.3 p -83.76 140.63 31.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.58 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -66.53 -36.94 83.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.518 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -60.39 -55.81 29.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.517 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -64.74 -32.68 74.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.459 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 181' ' ' LEU . . . . . 0.507 HD11 HH12 ' A' ' 101' ' ' ARG . 30.4 tp -57.49 -43.4 84.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.409 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -58.04 -49.88 75.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.299 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 64.4 t -43.32 -42.41 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.139 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 184' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 187' ' ' LEU . 93.5 t -73.88 -38.76 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.141 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.537 ' CD ' HH21 ' A' ' 101' ' ' ARG . 53.6 tt0 -45.23 -37.68 4.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.078 178.327 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 19.6 tp -72.42 -34.2 67.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.078 177.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 187' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 184' ' ' VAL . 6.7 tt -56.01 -34.5 65.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.079 178.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -75.54 -39.61 58.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.156 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -55.06 -41.39 71.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.088 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -54.74 -53.63 52.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.119 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 194' ' ' ALA . 78.4 t -51.28 -44.71 31.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.084 178.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 4.3 t -47.99 -30.33 4.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.078 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 7.8 mm -80.19 -32.19 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.09 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 194' ' ' ALA . . . . . 0.447 ' O ' ' HB2' ' A' ' 198' ' ' ALA . . . -71.03 -46.75 61.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.203 -178.45 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 2.3 pp -67.15 -32.61 58.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.268 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 196' ' ' ALA . . . . . 0.524 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.65 -56.54 4.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.347 178.561 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -59.26 -25.67 64.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.337 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 198' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 194' ' ' ALA . . . -74.4 -37.69 63.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.416 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -51.6 -37.51 50.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.453 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 43.5 tp -57.93 -58.62 7.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.482 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 88.1 p -53.65 -42.38 67.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.529 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.537 ' N ' HD12 ' A' ' 202' ' ' LEU . 10.7 mp . . . . . 0 C--O 1.219 -0.53 0 CA-C-O 117.983 -1.008 . . . . 1.0 110.603 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.1 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.827 0.346 . . . . 1.0 110.537 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -63.46 -34.6 78.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.568 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -76.87 -56.31 4.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.57 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.732 HD13 ' O ' ' A' ' 34' ' ' ILE . 0.2 OUTLIER -56.22 -36.48 46.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.557 -178.381 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.454 ' O ' ' OG1' ' A' ' 38' ' ' THR . 84.1 mt -72.35 -27.18 62.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.661 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.481 ' O ' HG12 ' A' ' 39' ' ' VAL . 59.3 ttt180 -57.76 -34.66 69.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.561 179.186 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.18 -25.07 34.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.628 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 34' ' ' ILE . 59.4 p -71.34 -48.18 51.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.656 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.481 HG12 ' O ' ' A' ' 36' ' ' ARG . 4.4 p -56.53 -39.41 61.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.664 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.455 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 98.2 mt-10 -70.95 -40.05 72.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.598 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -62.66 -43.98 97.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.502 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 70.1 t -64.2 -49.96 78.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.534 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.537 ' O ' ' N ' ' A' ' 47' ' ' GLY . 5.7 tmm_? -48.81 -44.61 39.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.512 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.04 -40.58 94.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.544 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -72.99 -52.88 12.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.608 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.565 ' O ' ' N ' ' A' ' 48' ' ' THR . 97.9 mt -79.82 -0.59 35.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.576 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.63 20.89 0.03 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 178.297 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.565 ' N ' ' O ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -72.42 136.67 46.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.899 0.38 . . . . 1.0 110.63 179.491 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.535 ' CG ' ' ND1' ' A' ' 170' ' ' HIS . 58.6 m-20 -54.97 -37.98 67.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.609 -177.592 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.735 ' NH2' ' H ' ' A' ' 74' ' ' LEU . 67.3 mtt85 -144.66 125.1 13.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.437 . . . . 1.0 111.017 -176.72 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.9 p -144.25 138.62 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.867 -0.606 . . . . 1.0 109.834 177.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -144.28 163.05 34.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.022 0.439 . . . . 1.0 111.271 -177.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.3 t -107.03 140.53 24.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.77 -0.65 . . . . 1.0 109.83 178.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.403 ' CZ ' ' HA3' ' A' ' 62' ' ' GLY . 17.4 t80 -123.92 120.42 32.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.893 0.378 . . . . 1.0 111.222 -178.406 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.532 ' NE ' ' OG1' ' A' ' 63' ' ' THR . 1.5 ppt_? -95.53 164.86 12.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.007 179.257 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -130.28 145.26 51.74 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.765 -0.374 . . . . 1.0 110.909 -178.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 22.0 t70 -116.01 133.66 22.85 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.298 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -44.04 -31.11 3.69 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.755 2.304 . . . . 1.0 112.044 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -71.69 -9.64 58.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.43 -178.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.96 18.21 27.83 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.8 -0.92 . . . . 1.0 110.8 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.476 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 85.3 m-70 -114.93 139.75 49.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 1.0 110.745 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.731 ' O ' HG23 ' A' ' 81' ' ' THR . . . -134.53 155.94 22.18 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.627 -0.989 . . . . 1.0 110.627 179.342 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.532 ' OG1' ' NE ' ' A' ' 55' ' ' ARG . 18.8 p -138.91 159.66 41.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.837 0.351 . . . . 1.0 110.831 -177.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.706 ' CG1' ' H ' ' A' ' 79' ' ' GLY . 11.7 p -101.05 113.74 38.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.156 175.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.3 m -101.41 3.69 10.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.883 -175.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -160.45 148.19 16.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 1.0 110.898 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.541 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 87.9 tt0 -167.67 126.33 1.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.258 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -124.87 133.36 53.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.816 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 49.6 mtm180 -114.35 141.71 47.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.503 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -91.72 -74.87 1.29 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 178.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.24 -120.9 1.21 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.741 -0.944 . . . . 1.0 110.741 178.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -174.06 53.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.797 0.332 . . . . 1.0 110.601 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.42 ' H ' ' HG2' ' A' ' 73' ' ' ARG . 10.7 ptp180 -90.49 -19.56 23.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.56 176.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.735 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 9.0 mt -130.3 162.73 52.55 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.538 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -81.88 173.16 11.39 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.749 2.3 . . . . 1.0 112.049 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 60.0 p -90.61 139.68 30.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.649 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.507 ' O ' ' C ' ' A' ' 78' ' ' LEU . 31.5 mt -113.47 -18.32 12.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.494 -178.138 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.541 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 7.8 tp -32.16 135.58 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.524 -177.322 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.706 ' H ' ' CG1' ' A' ' 64' ' ' VAL . . . 92.82 1.44 67.85 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 -179.4 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.759 HD23 ' N ' ' A' ' 81' ' ' THR . 3.5 tt -85.78 124.11 31.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.343 . . . . 1.0 110.587 -178.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.759 ' N ' HD23 ' A' ' 80' ' ' LEU . 29.0 m -94.71 122.73 37.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.616 177.343 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.504 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 11.2 m-85 -97.01 137.67 21.28 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.464 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -78.83 146.21 20.62 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.828 2.352 . . . . 1.0 112.182 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.6 -35.88 73.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.683 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -47.21 -23.17 1.67 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -52.63 -28.41 21.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.367 . . . . 1.0 110.619 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 14.9 pt -137.28 138.51 25.33 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.468 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.45 -94.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.859 2.372 . . . . 1.0 112.234 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -172.89 -25.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.605 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 91' ' ' ALA . 20.6 pt-20 -70.1 -41.24 74.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.53 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.412 ' N ' ' CG ' ' A' ' 90' ' ' GLU . . . -62.15 -34.69 76.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.522 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -65.25 -21.44 66.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.602 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.3 mmt85 -57.9 -54.78 43.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.45 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.628 ' O ' ' N ' ' A' ' 98' ' ' ALA . 8.7 mp -47.18 -49.4 22.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.513 178.202 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -64.82 -18.53 65.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.764 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -92.35 -35.24 13.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.672 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 23.1 mt -106.62 -41.36 5.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.177 -177.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.628 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -83.51 -28.01 28.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.432 -177.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.491 ' C ' ' O ' ' A' ' 98' ' ' ALA . 93.1 mt-30 32.68 58.56 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.358 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.524 HG12 HG12 ' A' ' 102' ' ' VAL . 11.3 t -106.02 -46.48 8.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.844 176.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 56.18 55.69 6.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.165 173.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.625 ' C ' HD12 ' A' ' 103' ' ' ILE . 8.2 p -146.91 128.19 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.634 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.625 HD12 ' C ' ' A' ' 102' ' ' VAL . 1.7 mp -112.19 135.01 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.721 178.466 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.429 HG22 ' H ' ' A' ' 104' ' ' VAL . 0.7 OUTLIER -82.65 170.3 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.309 -178.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -50.02 122.66 6.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.416 -0.357 . . . . 1.0 110.443 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 16.8 m -58.7 -10.1 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.552 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -76.35 -33.71 58.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.366 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.13 -13.2 10.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.431 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 49.52 62.91 2.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.73 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.3 p -84.7 136.29 33.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.36 174.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 94.2 mtm-85 -119.58 129.0 54.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.848 -176.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.228 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLN . . . . . 0.493 ' N ' ' OE1' ' A' ' 132' ' ' GLN . 9.1 mp0 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.807 0.337 . . . . 1.0 110.477 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.589 ' NE ' HD23 ' A' ' 94' ' ' LEU . 3.1 tpm_? -109.08 103.61 52.75 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.688 -179.418 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -80.57 143.66 15.3 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.775 2.316 . . . . 1.0 111.982 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 1.9 t -130.55 138.82 52.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.506 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.26 153.47 0.24 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.429 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -50.07 -24.34 10.83 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.797 2.332 . . . . 1.0 111.953 -178.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -53.73 -51.06 64.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.482 178.387 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.628 ' NE2' HD11 ' A' ' 143' ' ' LEU . 0.1 OUTLIER -70.54 -37.05 74.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.281 -179.259 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 48.9 t -52.01 -64.36 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.473 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -61.76 -39.81 92.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.447 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' TYR . . . . . 0.479 ' CZ ' ' CE ' ' A' ' 146' ' ' MET . 60.5 t80 -44.97 -45.18 10.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.416 179.109 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.628 HD11 ' NE2' ' A' ' 139' ' ' HIS . 88.1 mt -69.37 -50.75 43.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.407 178.491 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -54.35 -40.84 68.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.439 -178.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 29.2 t -55.4 -25.2 34.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.479 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' MET . . . . . 0.479 ' CE ' ' CZ ' ' A' ' 142' ' ' TYR . 29.0 mtt -93.15 -0.71 56.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.457 177.743 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 68.82 25.25 75.33 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.862 -0.895 . . . . 1.0 110.862 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.693 HG11 ' HB3' ' A' ' 169' ' ' HIS . 5.3 m -111.37 119.12 59.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.755 0.312 . . . . 1.0 110.697 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -81.6 -27.53 34.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.215 -179.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 34.5 t -106.8 146.46 30.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.116 -178.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.41 ' OG ' ' CG2' ' A' ' 103' ' ' ILE . 2.5 p -147.03 111.86 5.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.897 0.379 . . . . 1.0 111.161 179.416 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 43.1 tp -108.53 133.17 53.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.0 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.441 ' O ' HG23 ' A' ' 154' ' ' VAL . 1.5 p -129.54 152.08 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.083 0.468 . . . . 1.0 111.207 -178.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 153' ' ' VAL . 69.3 t -157.1 89.15 2.57 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.703 -0.681 . . . . 1.0 109.941 -177.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -55.47 153.17 29.76 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.967 2.445 . . . . 1.0 112.66 -176.135 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 31.0 mt -109.13 97.92 7.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.263 177.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 59.7 mtp -106.88 124.02 49.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.786 -176.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' HIS . . . . . 0.579 ' CE1' ' CB ' ' A' ' 196' ' ' ALA . 22.1 t60 -114.6 120.11 39.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.401 176.049 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.507 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 38.9 t-80 77.35 -114.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.336 -176.438 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -122.21 2.78 9.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.417 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -117.18 168.13 10.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.526 -178.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 6.3 tt -104.01 123.59 47.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.433 178.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' TRP . . . . . 0.526 ' CE3' ' OE2' ' A' ' 199' ' ' GLU . 50.9 m95 -104.96 -38.78 6.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.835 -176.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -141.21 174.42 22.83 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.243 -0.743 . . . . 1.0 111.243 -178.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.4 tp -143.25 130.98 21.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.714 0.292 . . . . 1.0 110.423 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.41 ' HB3' ' O ' ' A' ' 154' ' ' VAL . 12.5 tp -104.75 138.69 40.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.626 178.49 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 70.8 t -150.67 132.29 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.691 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 168' ' ' SER . . . . . 0.454 ' O ' ' ND1' ' A' ' 169' ' ' HIS . 4.9 m -118.79 146.05 45.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.397 178.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 169' ' ' HIS . . . . . 0.693 ' HB3' HG11 ' A' ' 148' ' ' VAL . 20.2 m-70 -138.61 136.43 35.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.748 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 170' ' ' HIS . . . . . 0.709 ' CD2' ' N ' ' A' ' 171' ' ' ALA . 43.7 t60 -170.47 168.57 7.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.443 -178.163 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.709 ' N ' ' CD2' ' A' ' 170' ' ' HIS . . . -54.96 -167.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.561 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -114.2 94.42 34.92 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.592 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 173' ' ' PRO . . . . . 0.404 ' HG2' ' H ' ' A' ' 174' ' ' ARG . 94.1 Cg_endo -85.5 -65.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.851 2.368 . . . . 1.0 112.098 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.404 ' H ' ' HG2' ' A' ' 173' ' ' PRO . 89.0 mtt180 -151.39 153.52 32.48 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.548 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -49.43 170.97 0.08 OUTLIER 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.759 2.306 . . . . 1.0 112.106 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 176' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 176' ' ' TYR . 16.2 p90 -117.13 139.11 51.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.645 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 25.9 t -95.39 141.2 29.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.529 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -63.58 -32.66 74.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.519 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.09 -50.12 73.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.479 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -68.51 -31.3 70.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.436 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 32.0 tp -58.44 -35.35 71.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.436 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 182' ' ' GLN . . . . . 0.429 ' HA ' HE21 ' A' ' 185' ' ' GLN . 63.6 tt0 -68.26 -50.54 53.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.372 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 54.3 t -43.02 -50.13 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.135 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 5.0 p -74.52 -36.51 41.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.237 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.429 HE21 ' HA ' ' A' ' 182' ' ' GLN . 6.9 tt0 -47.73 -40.34 20.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.056 178.302 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 14.4 tp -73.51 -33.87 64.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.069 178.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 6.7 tt -56.58 -32.73 65.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.069 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -73.63 -38.51 65.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.067 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -58.67 -40.31 83.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.183 179.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 190' ' ' GLN . . . . . 0.603 ' O ' HG22 ' A' ' 193' ' ' ILE . 62.7 tt0 -53.9 -56.66 15.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.14 179.3 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 194' ' ' ALA . 88.3 t -52.43 -41.79 36.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.144 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 1.7 m -47.25 -28.7 2.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.093 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 193' ' ' ILE . . . . . 0.603 HG22 ' O ' ' A' ' 190' ' ' GLN . 3.3 tt -79.98 -32.61 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.138 179.065 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 194' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 191' ' ' VAL . . . -72.43 -47.33 49.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.163 -179.311 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 195' ' ' ILE . . . . . 0.46 HG23 ' N ' ' A' ' 196' ' ' ALA . 3.4 tp -62.57 -39.07 83.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.233 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 196' ' ' ALA . . . . . 0.579 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.27 -54.64 6.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.35 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 197' ' ' GLN . . . . . 0.417 ' O ' ' NE2' ' A' ' 197' ' ' GLN . 15.2 tm0? -56.7 -25.27 53.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.345 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -74.15 -37.81 63.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.48 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 199' ' ' GLU . . . . . 0.526 ' OE2' ' CE3' ' A' ' 163' ' ' TRP . 94.5 mt-10 -51.87 -38.47 56.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.408 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 28.9 tp -52.37 -67.05 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.465 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 19.3 m -66.38 -50.23 64.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.583 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 46.2 mt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.059 -0.972 . . . . 1.0 110.565 179.935 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.628 HD21 HH12 ' A' ' 55' ' ' ARG . 12.0 tp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.788 0.328 . . . . 1.0 110.542 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.7 p-10 -64.42 -32.18 73.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.565 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -76.87 -50.66 12.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.526 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.701 HD13 ' O ' ' A' ' 34' ' ' ILE . 0.3 OUTLIER -62.35 -29.33 46.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.557 -179.203 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.686 ' O ' HG22 ' A' ' 38' ' ' THR . 76.6 mt -80.29 -19.36 46.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.644 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.585 ' O ' HG12 ' A' ' 39' ' ' VAL . 53.1 ttm-85 -73.66 -34.87 65.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.539 179.296 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.3 -25.33 29.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.592 -178.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.686 HG22 ' O ' ' A' ' 35' ' ' LEU . 2.7 t -71.73 -43.0 66.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.6 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 36' ' ' ARG . 4.1 p -56.3 -38.01 53.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.686 178.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.436 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 98.8 mt-10 -75.22 -34.48 61.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.607 179.27 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -66.08 -52.53 47.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.519 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.568 HG13 ' N ' ' A' ' 43' ' ' ARG . 10.1 p -61.71 -44.98 99.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.541 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.568 ' N ' HG13 ' A' ' 42' ' ' VAL . 4.7 tmm_? -49.63 -42.94 46.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.555 179.307 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.54 -36.77 81.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.529 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -77.22 -50.25 13.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.549 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.574 ' N ' HD12 ' A' ' 46' ' ' LEU . 9.9 mp -78.86 -3.77 46.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.53 178.553 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.88 20.37 0.03 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.984 -0.846 . . . . 1.0 110.984 178.383 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.554 ' N ' ' O ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -71.88 136.0 46.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.77 0.319 . . . . 1.0 110.613 179.469 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' A' ' 70' ' ' GLY . 52.5 m-20 -55.33 -39.86 70.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.587 -177.59 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.558 HH12 ' NZ ' ' A' ' 52' ' ' LYS . 68.5 ttp85 -140.45 124.13 17.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.028 0.442 . . . . 1.0 111.025 -176.699 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.7 p -145.3 136.68 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.861 -0.609 . . . . 1.0 109.841 176.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.558 ' NZ ' HH12 ' A' ' 50' ' ' ARG . 23.8 pttm -145.52 163.79 33.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.042 0.449 . . . . 1.0 111.236 -177.253 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.675 HG12 ' HB3' ' A' ' 66' ' ' ALA . 9.2 p -108.23 138.68 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.669 -0.696 . . . . 1.0 109.828 178.104 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.443 ' CZ ' ' HA3' ' A' ' 62' ' ' GLY . 18.7 t80 -119.9 119.76 34.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.904 0.383 . . . . 1.0 111.222 -178.324 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.628 HH12 HD21 ' A' ' 31' ' ' LEU . 26.8 mmm-85 -93.63 162.56 13.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.966 -0.561 . . . . 1.0 109.899 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -131.66 145.72 51.81 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.744 -0.383 . . . . 1.0 110.944 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 61' ' ' HIS . 10.8 m-20 -117.78 136.27 23.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.298 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -45.17 -29.11 3.92 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.728 2.286 . . . . 1.0 112.065 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -74.2 -7.39 52.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.371 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.73 19.75 28.5 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.825 -0.91 . . . . 1.0 110.825 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.511 ' O ' ' N ' ' A' ' 57' ' ' ASP . 92.5 m-70 -116.05 140.01 49.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 1.0 110.715 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.443 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -135.45 157.3 23.13 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.644 -0.983 . . . . 1.0 110.644 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 70.9 p -140.03 159.03 43.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 1.0 110.738 -178.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.3 t -100.98 113.95 38.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.231 176.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 23.3 m -102.05 3.43 10.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.88 -176.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.675 ' HB3' HG12 ' A' ' 53' ' ' VAL . . . -158.72 146.01 17.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.938 0.399 . . . . 1.0 110.913 -179.172 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.532 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 88.7 tt0 -167.27 126.11 1.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.279 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -122.87 130.48 52.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.803 178.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.463 ' HA ' ' O ' ' A' ' 49' ' ' ASP . 79.1 mtm180 -109.82 141.04 43.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.462 -179.319 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -91.77 -103.54 1.4 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.24 1.23 6.83 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.771 -0.932 . . . . 1.0 110.771 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 58.52 62.57 1.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.785 0.326 . . . . 1.0 110.536 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.499 ' NH2' ' O ' ' A' ' 147' ' ' GLY . 5.6 ptm180 -86.52 -52.22 5.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.518 178.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.434 ' H ' ' HG3' ' A' ' 73' ' ' ARG . 14.3 mt -99.69 146.31 31.62 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.545 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -54.68 173.99 0.22 Allowed 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.678 2.252 . . . . 1.0 112.087 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.6 p -88.33 129.41 35.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.711 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.485 ' O ' ' C ' ' A' ' 78' ' ' LEU . 28.0 mt -103.62 -19.55 14.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.433 -178.593 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.532 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 22.5 tp -33.56 136.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.513 -177.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.87 0.37 66.4 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.854 -0.898 . . . . 1.0 110.854 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 mt -88.96 126.0 35.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.719 0.295 . . . . 1.0 110.571 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.446 ' O ' HG23 ' A' ' 81' ' ' THR . 8.8 t -100.1 128.82 46.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.619 177.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.502 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 8.3 m-85 -105.39 143.73 27.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.503 -179.055 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -78.86 147.64 21.65 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.875 2.383 . . . . 1.0 112.141 178.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.73 -35.7 68.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.604 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.08 -23.83 4.14 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -55.24 -31.79 61.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.838 0.351 . . . . 1.0 110.55 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.403 HD13 HG21 ' A' ' 87' ' ' ILE . 24.8 mt -125.29 131.5 24.08 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.542 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.91 -103.46 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.836 2.357 . . . . 1.0 112.159 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -164.43 -54.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.566 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -46.46 -37.68 8.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.571 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.06 -48.64 57.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.553 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.406 HH21 ' HB2' ' A' ' 162' ' ' LEU . 57.0 ttt180 -56.4 -22.74 33.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.553 -178.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 68.8 mtp85 -67.41 -48.57 66.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.471 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 98' ' ' ALA . 23.4 mt -46.35 -54.08 9.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.478 -178.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -60.24 -26.1 66.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.743 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -86.0 -20.53 28.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.733 179.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.8 mp -105.47 -48.91 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.255 -178.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -95.67 -16.64 21.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.47 -175.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.488 ' C ' ' O ' ' A' ' 98' ' ' ALA . 89.1 mt-30 34.51 63.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.355 178.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.616 HG23 ' N ' ' A' ' 101' ' ' ARG . 26.4 m -113.18 -48.19 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.811 176.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.616 ' N ' HG23 ' A' ' 100' ' ' VAL . 1.3 mtt180 58.38 63.99 1.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.24 174.004 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.19 123.08 14.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.606 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.455 HD12 ' OG ' ' A' ' 151' ' ' SER . 97.1 mt -110.57 130.14 64.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.723 178.206 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.5 m -81.56 169.17 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.306 -177.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -51.96 123.2 9.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.427 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 26.4 m -57.67 -8.69 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.518 178.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -75.53 -33.84 60.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.36 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.42 -15.87 51.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.389 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 50.31 59.99 4.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.673 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.2 m -88.02 140.12 29.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.399 175.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -121.11 131.58 54.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.85 -177.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.424 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 6.1 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.201 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.757 0.313 . . . . 1.0 110.447 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.413 ' HE ' ' HB3' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -135.94 119.82 12.77 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.632 -179.48 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.85 144.14 18.96 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.716 2.277 . . . . 1.0 112.025 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.612 HG23 ' NE2' ' A' ' 139' ' ' HIS . 0.0 OUTLIER -126.96 134.66 65.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.526 -179.758 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.424 ' HA ' ' H ' ' A' ' 112' ' ' SER . 1.1 p30 -45.72 155.33 0.49 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.463 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -49.57 -12.02 0.3 Allowed 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.855 2.37 . . . . 1.0 111.91 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -41.97 84.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.428 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.612 ' NE2' HG23 ' A' ' 135' ' ' VAL . 0.2 OUTLIER -82.38 -28.1 31.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.271 -178.799 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 40.7 t -51.61 -63.57 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.517 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -64.52 -43.56 93.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.456 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -47.27 -54.14 11.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.484 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.559 HD12 ' ND1' ' A' ' 139' ' ' HIS . 96.9 mt -66.82 -52.12 47.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.437 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 44.2 tptt -53.52 -40.96 65.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.413 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.9 t -53.96 -24.26 15.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.527 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 49.4 mtt -93.24 -1.69 55.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.395 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' GLY . . . . . 0.499 ' O ' ' NH2' ' A' ' 73' ' ' ARG . . . 71.51 25.97 74.15 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 179.171 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.624 HG13 ' O ' ' A' ' 148' ' ' VAL . 5.0 p -110.44 120.38 61.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.775 0.322 . . . . 1.0 110.701 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -84.16 -33.26 24.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.264 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.598 ' O ' HG22 ' A' ' 148' ' ' VAL . 26.7 t -106.79 146.7 30.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.146 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.455 ' OG ' HD12 ' A' ' 103' ' ' ILE . 2.0 t -148.41 119.34 7.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.917 0.389 . . . . 1.0 111.054 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 52.5 tp -112.45 117.7 33.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.98 -0.554 . . . . 1.0 109.999 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.611 HG13 ' HB3' ' A' ' 101' ' ' ARG . 2.0 p -100.64 153.02 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.036 0.446 . . . . 1.0 111.202 -178.556 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.559 ' O ' ' HB3' ' A' ' 166' ' ' LEU . 43.8 t -155.3 100.42 2.28 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 115.714 -0.676 . . . . 1.0 109.983 -178.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -78.37 151.04 25.84 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.944 2.429 . . . . 1.0 112.693 -178.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 38.7 mt -117.41 97.53 5.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.2 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 21.8 ptm -115.81 137.18 52.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.756 -178.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 158' ' ' HIS . . . . . 0.448 ' O ' ' HB3' ' A' ' 159' ' ' HIS . 45.8 t60 -113.78 122.92 48.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.405 177.567 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.448 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 78.3 t60 69.25 -109.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.376 -178.591 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -120.27 2.27 10.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.423 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -115.35 157.18 24.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.578 -176.275 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.406 ' HB2' HH21 ' A' ' 92' ' ' ARG . 14.6 tp -104.8 123.59 47.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.422 177.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 163' ' ' TRP . . . . . 0.417 ' CH2' ' OE2' ' A' ' 199' ' ' GLU . 98.9 m95 -102.45 -38.68 7.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.837 -177.234 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -148.26 178.92 25.53 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.216 -0.754 . . . . 1.0 111.216 -178.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 165' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 54' ' ' TYR . 2.1 tp -143.92 130.63 20.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.741 0.305 . . . . 1.0 110.425 -179.511 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.559 ' HB3' ' O ' ' A' ' 154' ' ' VAL . 4.3 tp -106.98 145.79 31.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.601 178.286 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 46.6 t -153.78 139.28 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.721 -177.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 16.4 m -120.2 141.08 50.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.362 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -135.5 137.6 42.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.772 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 170' ' ' HIS . . . . . 0.765 ' CD2' ' N ' ' A' ' 171' ' ' ALA . 24.8 t60 -170.84 166.13 7.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.509 -178.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.765 ' N ' ' CD2' ' A' ' 170' ' ' HIS . . . -51.97 -165.73 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.597 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -114.5 92.37 28.14 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.58 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -86.58 -62.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.859 2.373 . . . . 1.0 112.095 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 59.4 mtm-85 -147.41 153.91 44.64 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.496 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -49.03 177.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.785 2.323 . . . . 1.0 112.036 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -82.23 115.19 21.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.663 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 31.1 t -76.95 122.62 25.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.529 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -65.9 -30.9 71.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.534 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -64.44 -57.27 9.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.456 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.29 -29.45 67.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.454 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 17.3 tp -47.31 -58.2 4.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.376 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -60.71 -52.08 66.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.309 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 59.8 t -43.44 -48.52 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.189 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 86.6 t -74.98 -35.85 36.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.2 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -49.17 -41.59 37.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.094 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 53.0 mt -73.09 -33.71 65.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.042 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 20.0 tp -57.11 -31.21 65.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.084 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -72.6 -39.84 67.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.125 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -57.0 -40.09 75.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.152 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 190' ' ' GLN . . . . . 0.4 ' O ' ' OE1' ' A' ' 190' ' ' GLN . 0.7 OUTLIER -53.49 -55.4 25.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.173 179.709 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 81.9 t -56.25 -42.2 72.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.118 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 6.9 t -49.15 -34.47 14.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.056 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.6 mp -79.76 -33.06 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.148 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -70.27 -47.64 60.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.259 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 195' ' ' ILE . . . . . 0.491 HD11 ' NH2' ' A' ' 55' ' ' ARG . 18.8 tt -63.96 -33.2 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.291 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 196' ' ' ALA . . . . . 0.439 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.5 -54.44 7.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.392 179.258 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -58.75 -26.22 63.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.358 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -74.95 -36.5 62.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.496 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 199' ' ' GLU . . . . . 0.417 ' OE2' ' CH2' ' A' ' 163' ' ' TRP . 84.8 tt0 -55.61 -39.0 70.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.456 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 39.2 tp -63.6 -59.01 5.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.486 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 23.2 t -59.33 -45.8 90.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.495 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 13.9 tp . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.949 -1.024 . . . . 1.0 110.567 179.817 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.6 tp . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.776 0.322 . . . . 1.0 110.521 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -57.37 -32.88 67.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.534 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -76.49 -49.48 16.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.519 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.588 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.4 mp -62.07 -32.96 56.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.589 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.485 ' O ' HG22 ' A' ' 38' ' ' THR . 92.0 mt -78.73 -20.04 50.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.637 -179.264 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.543 ' O ' HG12 ' A' ' 39' ' ' VAL . 69.9 ttt180 -74.35 -34.11 63.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.563 178.66 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.59 -33.75 23.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.565 -178.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.556 ' CG2' ' N ' ' A' ' 39' ' ' VAL . 2.7 t -66.33 -44.85 82.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.588 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.556 ' N ' ' CG2' ' A' ' 38' ' ' THR . 4.6 p -56.31 -36.41 46.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.593 178.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -70.58 -39.12 74.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.602 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -63.2 -51.14 67.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.544 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.0 t -56.93 -51.5 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.527 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.549 ' O ' ' N ' ' A' ' 47' ' ' GLY . 30.7 ttp180 -47.16 -43.17 20.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.577 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.72 -37.58 82.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.458 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -76.18 -51.46 12.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.568 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.538 ' O ' ' N ' ' A' ' 48' ' ' THR . 18.2 mt -79.56 -1.11 36.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.587 179.276 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 41.44 21.44 0.06 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 178.205 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.61 HG22 ' H ' ' A' ' 50' ' ' ARG . 1.2 m -74.5 137.39 42.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.841 0.353 . . . . 1.0 110.537 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 69' ' ' ARG . 76.1 m-20 -69.34 -20.19 63.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.624 -176.572 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.61 ' H ' HG22 ' A' ' 48' ' ' THR . 62.6 ttp180 -148.76 119.07 7.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.018 0.437 . . . . 1.0 111.017 -178.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 167' ' ' VAL . 9.5 p -147.0 135.3 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.828 -0.624 . . . . 1.0 109.87 176.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.5 pttt -144.54 153.92 42.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.022 0.439 . . . . 1.0 111.258 -177.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.656 HG12 ' HB3' ' A' ' 66' ' ' ALA . 9.7 p -96.66 136.7 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.668 -0.696 . . . . 1.0 109.889 177.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.419 ' CZ ' ' HA3' ' A' ' 62' ' ' GLY . 18.1 t80 -120.3 119.89 34.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.935 0.398 . . . . 1.0 111.257 -177.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -95.53 164.31 12.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.988 -0.551 . . . . 1.0 109.89 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -131.3 144.51 51.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.994 0.426 . . . . 1.0 110.827 -178.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 61' ' ' HIS . 17.6 m-20 -115.55 135.05 22.57 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.319 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -45.22 -28.38 3.55 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.712 2.275 . . . . 1.0 112.03 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -75.11 -6.68 50.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.437 -178.108 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.31 18.99 31.62 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.787 -0.925 . . . . 1.0 110.787 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.476 ' O ' ' N ' ' A' ' 57' ' ' ASP . 76.0 m80 -114.29 139.11 49.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.914 0.387 . . . . 1.0 110.646 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.419 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -132.24 153.55 20.62 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.652 -0.979 . . . . 1.0 110.652 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.493 HG22 HG22 ' A' ' 81' ' ' THR . 63.9 p -138.99 158.73 43.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.771 0.32 . . . . 1.0 110.813 -178.154 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.6 t -102.44 116.79 46.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.238 175.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.3 m -106.44 2.65 10.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.809 -175.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.656 ' HB3' HG12 ' A' ' 53' ' ' VAL . . . -157.43 146.43 19.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.887 0.375 . . . . 1.0 110.915 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 87.3 tt0 -169.64 127.99 0.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.29 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.65 151.44 51.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.765 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.548 ' O ' ' NH1' ' A' ' 43' ' ' ARG . 0.6 OUTLIER -137.38 145.87 43.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.441 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -93.18 23.71 28.37 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 177.07 -114.02 0.45 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.786 -0.926 . . . . 1.0 110.786 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -178.17 38.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.875 0.369 . . . . 1.0 110.619 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -75.36 -57.46 3.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.458 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 30.5 mt -91.65 146.5 33.26 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.541 177.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -68.44 166.68 24.76 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.793 2.329 . . . . 1.0 112.06 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 57.5 p -92.47 138.61 31.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.68 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.0 mt -114.12 -10.15 12.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.467 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.404 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 22.8 tp -41.41 137.35 1.51 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.561 -178.124 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.0 -0.18 72.31 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.434 ' HA ' HD12 ' A' ' 80' ' ' LEU . 18.8 tp -94.3 130.21 40.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.327 . . . . 1.0 110.553 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.493 HG22 HG22 ' A' ' 63' ' ' THR . 3.8 p -99.89 130.34 46.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.585 178.657 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.469 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 13.9 m-85 -103.71 147.08 33.7 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.526 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -78.98 145.45 19.63 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.811 2.341 . . . . 1.0 112.159 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.6 -38.24 80.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.654 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.74 -21.43 4.9 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -61.38 -29.72 70.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 1.0 110.601 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.553 ' CG2' HH21 ' A' ' 92' ' ' ARG . 44.5 mm -112.77 99.11 47.08 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.472 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.542 ' O ' ' O ' ' A' ' 87' ' ' ILE . 76.2 Cg_exo -47.93 -122.61 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.807 2.338 . . . . 1.0 112.214 178.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -154.18 -47.95 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.573 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -60.24 -38.42 83.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.544 -178.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.98 -39.42 79.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.573 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.553 HH21 ' CG2' ' A' ' 87' ' ' ILE . 29.9 ttm180 -68.74 -23.83 64.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.562 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' ' 97' ' ' LEU . 27.1 mmt180 -59.84 -54.16 49.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.531 -178.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.514 ' O ' ' N ' ' A' ' 98' ' ' ALA . 23.4 mt -51.03 -38.58 52.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.472 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.452 ' HE2' HG11 ' A' ' 153' ' ' VAL . 7.9 m-85 -67.0 -35.4 79.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.742 178.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 73.5 mtm-85 -87.29 -17.2 33.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.716 178.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 93' ' ' ARG . 5.8 tp -101.37 -49.07 4.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.248 -177.546 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -102.78 -13.0 17.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.416 -176.262 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.501 ' C ' ' O ' ' A' ' 98' ' ' ALA . 90.5 mt-30 33.78 64.89 0.32 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.394 178.471 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.701 HG22 HG22 ' A' ' 102' ' ' VAL . 9.9 p -98.91 -50.63 10.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.827 177.26 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.687 ' N ' HG13 ' A' ' 100' ' ' VAL . 1.5 mtm105 62.22 52.89 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.302 172.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.701 HG22 HG22 ' A' ' 100' ' ' VAL . 13.1 m -148.75 126.91 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.66 178.274 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.679 HD12 ' N ' ' A' ' 103' ' ' ILE . 1.9 mp -108.92 134.68 50.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.741 177.273 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.676 HG22 ' N ' ' A' ' 105' ' ' ASP . 12.5 p -80.35 169.22 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.282 -177.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.676 ' N ' HG22 ' A' ' 104' ' ' VAL . 3.5 m-20 -47.64 120.63 3.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.466 -178.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.7 p -59.67 -14.31 6.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.495 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -80.0 -31.55 39.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.302 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.66 -10.92 1.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.356 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 50.8 62.59 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.648 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.44 135.13 33.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.357 174.501 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -117.62 127.96 54.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.825 -176.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.409 ' O ' ' CG ' ' A' ' 136' ' ' ASP . 11.0 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.244 176.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.764 0.316 . . . . 1.0 110.445 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.505 ' HE ' ' HA ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -131.7 87.33 46.0 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.628 -179.103 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_exo -49.28 141.48 24.11 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.827 2.351 . . . . 1.0 111.947 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 12.2 m -125.96 135.17 64.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.508 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 112' ' ' SER . 1.5 m-20 -43.5 151.31 0.47 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.454 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -46.77 -16.24 0.26 Allowed 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.891 2.394 . . . . 1.0 111.918 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.54 -47.83 82.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.453 178.488 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.926 ' CE1' HD11 ' A' ' 143' ' ' LEU . 15.5 t-80 -77.15 -30.17 54.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.262 -178.693 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 53.8 t -50.59 -65.92 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.519 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -60.26 -39.32 86.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.457 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -46.72 -49.91 18.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.478 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.926 HD11 ' CE1' ' A' ' 139' ' ' HIS . 88.2 mt -67.58 -51.44 50.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.386 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -57.65 -40.66 79.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.46 -178.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 24.3 t -55.89 -28.54 57.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.459 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' MET . . . . . 0.549 ' SD ' ' NH2' ' A' ' 50' ' ' ARG . 28.6 mtt -91.07 -0.16 57.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.435 177.451 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 68.85 24.89 75.55 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.526 HG12 ' O ' ' A' ' 150' ' ' SER . 4.9 t -108.62 123.02 64.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.754 0.312 . . . . 1.0 110.639 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -83.36 -36.75 24.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.289 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.526 ' O ' HG12 ' A' ' 148' ' ' VAL . 49.5 m -103.83 149.96 24.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.069 -177.693 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.3 p -145.07 109.13 4.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.915 0.388 . . . . 1.0 111.104 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 49.3 tp -105.07 134.31 48.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.015 178.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.582 HG13 ' HB3' ' A' ' 101' ' ' ARG . 9.9 p -129.13 153.28 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.063 0.459 . . . . 1.0 111.222 -178.493 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.424 ' O ' ' HB3' ' A' ' 166' ' ' LEU . 88.1 t -153.67 81.42 4.86 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 115.673 -0.694 . . . . 1.0 109.909 -178.492 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -52.49 151.14 19.14 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.932 2.422 . . . . 1.0 112.686 -177.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 29.4 mt -116.57 96.82 5.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.209 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 17.7 ptm -110.42 135.88 50.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.796 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 158' ' ' HIS . . . . . 0.514 ' CE1' ' NE2' ' A' ' 159' ' ' HIS . 7.1 t-80 -113.36 125.28 54.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.354 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.514 ' NE2' ' CE1' ' A' ' 158' ' ' HIS . 41.1 m170 64.72 -110.58 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.352 -178.258 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -119.22 2.06 11.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.425 -179.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -115.01 165.26 13.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.617 -177.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 12.2 tp -105.35 119.84 40.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.421 177.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' TRP . . . . . 0.406 ' CD1' ' N ' ' A' ' 163' ' ' TRP . 32.8 m95 -103.0 -41.8 6.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.863 -177.238 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -141.9 173.77 23.46 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.2 -0.76 . . . . 1.0 111.2 -178.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 3.9 tp -145.61 129.97 17.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.79 0.329 . . . . 1.0 110.405 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.424 ' HB3' ' O ' ' A' ' 154' ' ' VAL . 21.4 tp -103.33 146.66 28.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.617 178.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 167' ' ' VAL . . . . . 0.45 ' O ' HG23 ' A' ' 51' ' ' VAL . 14.7 p -150.96 139.0 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.772 -179.192 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.6 143.27 50.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.381 178.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 169' ' ' HIS . . . . . 0.575 ' ND1' ' N ' ' A' ' 169' ' ' HIS . 0.0 OUTLIER -138.7 132.91 31.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.824 -179.659 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 170' ' ' HIS . . . . . 0.629 ' CG ' ' N ' ' A' ' 171' ' ' ALA . 58.1 t60 -170.69 168.8 7.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.443 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.629 ' N ' ' CG ' ' A' ' 170' ' ' HIS . . . -52.1 -163.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.599 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -115.62 82.85 10.5 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.589 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -86.24 71.55 4.08 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.849 2.366 . . . . 1.0 112.118 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 53.1 mtt-85 63.49 150.7 0.11 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.491 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -48.35 169.94 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.791 2.328 . . . . 1.0 112.029 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -113.0 148.94 34.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.591 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 69.4 p -95.18 138.83 32.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.525 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -68.27 -31.4 70.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.598 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -60.22 -46.72 88.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.482 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -70.53 -29.7 66.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.465 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 31.7 tp -61.2 -31.9 71.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.428 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -70.68 -53.7 14.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.335 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 59.4 t -42.6 -47.84 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.145 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 184' ' ' VAL . . . . . 0.537 HG11 ' CD2' ' A' ' 46' ' ' LEU . 27.1 m -75.41 -35.49 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.192 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.551 ' OE1' ' NH1' ' A' ' 101' ' ' ARG . 51.0 tp60 -46.74 -39.03 10.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.076 178.451 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 186' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 186' ' ' LEU . 11.0 mp -72.83 -34.7 67.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.073 177.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 187' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 184' ' ' VAL . 25.7 tp -55.99 -34.52 65.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.123 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 188' ' ' ALA . . . . . 0.413 ' HB2' HG11 ' A' ' 154' ' ' VAL . . . -75.78 -36.92 59.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.098 178.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -54.92 -39.89 69.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.146 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -53.57 -51.4 63.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.163 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 84.4 t -54.24 -42.57 57.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.009 -0.542 . . . . 1.0 110.189 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 4.8 t -49.5 -36.37 22.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.093 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 193' ' ' ILE . . . . . 0.471 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -80.7 -31.66 12.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.165 178.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -69.77 -47.43 62.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.303 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 2.2 pp -65.52 -33.51 64.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.238 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 196' ' ' ALA . . . . . 0.481 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.77 -55.51 5.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.356 178.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -57.18 -25.61 59.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.342 178.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -75.01 -35.77 61.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.455 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -53.54 -39.47 64.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.417 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 42.9 tp -56.26 -63.64 1.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.499 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 85.6 p -62.47 -46.88 86.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.504 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 14.2 tp . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.029 -0.986 . . . . 1.0 110.491 179.774 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.561 HD21 ' CZ ' ' A' ' 55' ' ' ARG . 15.2 tp . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.827 0.346 . . . . 1.0 110.553 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -67.43 -31.75 72.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.555 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -76.85 -53.57 7.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.556 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.685 ' O ' HG23 ' A' ' 38' ' ' THR . 4.3 tp -59.58 -30.18 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.577 -178.351 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.665 ' CD1' HH22 ' A' ' 55' ' ' ARG . 76.6 mt -76.42 -26.01 55.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.617 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.589 ' O ' HG12 ' A' ' 39' ' ' VAL . 38.6 ttp180 -61.83 -37.02 82.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.559 179.097 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.81 -26.09 37.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.605 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.685 HG23 ' O ' ' A' ' 34' ' ' ILE . 72.3 p -68.97 -47.14 66.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.623 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 36' ' ' ARG . 3.8 p -55.16 -38.78 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.656 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.455 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 97.5 mt-10 -75.39 -40.06 58.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.574 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -64.7 -51.16 63.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.513 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.2 t -61.52 -53.61 46.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.529 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 47' ' ' GLY . 2.2 tmm_? -47.39 -39.35 15.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.59 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.98 -36.64 77.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.577 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -76.71 -47.66 21.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.6 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.612 ' N ' HD12 ' A' ' 46' ' ' LEU . 9.5 mp -77.82 -2.53 36.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.533 177.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.83 19.56 0.02 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.642 ' HG1' ' CE1' ' A' ' 170' ' ' HIS . 1.5 m -72.39 138.33 47.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.807 0.337 . . . . 1.0 110.595 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.646 ' CB ' ' HE ' ' A' ' 73' ' ' ARG . 77.3 m-20 -54.6 -40.39 68.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.642 -177.544 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.502 ' H ' HG22 ' A' ' 48' ' ' THR . 49.7 ttp180 -139.09 126.81 21.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.012 0.434 . . . . 1.0 110.971 -176.058 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.466 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 4.8 t -142.47 133.8 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.812 -0.631 . . . . 1.0 109.85 176.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 46.9 pttt -144.0 159.77 42.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.092 0.473 . . . . 1.0 111.178 -178.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.624 HG12 ' HB3' ' A' ' 66' ' ' ALA . 9.4 p -110.25 139.49 33.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.669 -0.696 . . . . 1.0 109.856 178.551 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.44 ' CZ ' ' HA3' ' A' ' 62' ' ' GLY . 11.2 t80 -123.79 123.26 40.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.916 0.389 . . . . 1.0 111.184 -177.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.665 HH22 ' CD1' ' A' ' 35' ' ' LEU . 30.9 ttm-85 -95.14 163.67 13.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.927 -0.579 . . . . 1.0 109.932 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.415 ' H ' ' HG2' ' A' ' 55' ' ' ARG . 83.2 t80 -129.74 145.68 51.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.943 0.401 . . . . 1.0 110.822 -178.286 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 61' ' ' HIS . 18.3 t70 -117.26 135.37 23.13 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.291 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -45.1 -28.33 3.28 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.711 2.274 . . . . 1.0 112.072 179.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -74.27 -5.61 43.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.436 -178.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.41 17.11 43.71 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.789 -0.924 . . . . 1.0 110.789 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.487 ' O ' ' N ' ' A' ' 57' ' ' ASP . 95.6 m-70 -117.25 143.78 45.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 1.0 110.693 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.44 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -138.46 160.98 25.67 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.595 -1.002 . . . . 1.0 110.595 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 75.0 p -139.71 159.43 42.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.82 0.343 . . . . 1.0 110.733 -178.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.3 t -99.45 115.81 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.207 176.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.42 HG21 ' NH2' ' A' ' 55' ' ' ARG . 23.5 m -101.94 3.92 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.898 -177.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.624 ' HB3' HG12 ' A' ' 53' ' ' VAL . . . -162.83 149.39 12.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.387 . . . . 1.0 110.869 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.512 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 88.0 tt0 -167.34 128.92 1.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.268 -178.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.466 ' O ' ' HA ' ' A' ' 50' ' ' ARG . . . -118.22 150.14 39.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.815 176.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.5 ptt-85 -137.06 142.64 42.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.508 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.473 ' C ' ' H ' ' A' ' 72' ' ' GLU . . . -96.12 -108.34 2.39 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.374 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.33 2.22 2.44 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.774 -0.93 . . . . 1.0 110.774 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.473 ' H ' ' C ' ' A' ' 70' ' ' GLY . 68.2 tt0 63.3 55.18 1.89 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.745 0.307 . . . . 1.0 110.571 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.646 ' HE ' ' CB ' ' A' ' 49' ' ' ASP . 7.5 ptp180 -84.81 -16.56 41.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.527 177.62 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.477 HD21 ' O ' ' A' ' 146' ' ' MET . 10.7 mt -136.49 128.8 17.32 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.513 179.614 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -49.29 172.41 0.06 OUTLIER 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.801 2.334 . . . . 1.0 112.07 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.8 p -88.85 122.66 32.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.743 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 41.0 mt -96.38 -7.66 34.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.459 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.512 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 6.0 tp -45.74 135.1 7.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.517 -178.48 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.52 -0.29 74.06 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.856 -0.897 . . . . 1.0 110.856 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.9 tp -93.83 128.86 40.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.847 0.356 . . . . 1.0 110.53 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.488 ' O ' HG23 ' A' ' 81' ' ' THR . 10.1 t -95.45 125.95 40.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.652 178.347 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -95.84 144.67 28.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.497 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -81.41 132.89 8.24 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.896 2.397 . . . . 1.0 112.14 178.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -46.49 -35.07 5.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.648 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.95 -24.36 6.3 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.969 -0.852 . . . . 1.0 110.969 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -48.82 -25.77 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 1.0 110.584 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.0 pt -130.52 136.05 28.35 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.583 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.52 -107.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.869 2.379 . . . . 1.0 112.102 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.507 ' O ' ' NH1' ' A' ' 93' ' ' ARG . 23.1 pt-20 -166.68 -29.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.535 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 91' ' ' ALA . 11.4 pt-20 -73.14 -45.25 57.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.571 -179.463 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.474 ' N ' ' CG ' ' A' ' 90' ' ' GLU . . . -59.24 -31.81 69.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.549 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.473 HH21 HD22 ' A' ' 162' ' ' LEU . 65.4 mtp180 -70.43 -22.88 62.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.527 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.528 ' O ' ' N ' ' A' ' 97' ' ' LEU . 72.6 mmt-85 -56.24 -59.81 4.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.506 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.436 ' CD1' ' CZ ' ' A' ' 133' ' ' ARG . 15.4 mt -54.69 -36.54 64.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.548 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.58 ' C ' HH12 ' A' ' 101' ' ' ARG . 8.9 m-85 -65.9 -52.27 51.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.702 179.133 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -76.17 -18.04 59.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.674 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 93' ' ' ARG . 25.1 tp -91.07 -46.89 7.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.28 -178.5 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -103.78 -39.73 6.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.361 -176.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.435 ' CG ' ' O ' ' A' ' 95' ' ' PHE . 94.8 mt-30 63.91 68.76 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.308 177.622 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.615 ' C ' ' HG2' ' A' ' 101' ' ' ARG . 15.4 m -107.49 -42.48 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.819 176.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.615 ' HG2' ' C ' ' A' ' 100' ' ' VAL . 0.1 OUTLIER 62.34 55.67 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.328 175.149 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.592 ' C ' HD12 ' A' ' 103' ' ' ILE . 69.2 t -148.61 125.46 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.615 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.592 HD12 ' C ' ' A' ' 102' ' ' VAL . 1.7 mp -109.49 137.05 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.739 176.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.665 HG22 ' N ' ' A' ' 105' ' ' ASP . 12.8 p -79.52 168.97 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.302 -178.004 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.665 ' N ' HG22 ' A' ' 104' ' ' VAL . 3.5 m-20 -48.41 124.05 7.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.4 -178.608 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.2 m -63.61 -14.01 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.535 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.412 ' C ' ' H ' ' A' ' 109' ' ' GLN . 2.8 pt-20 -79.89 -30.98 40.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.321 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.45 -7.92 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.319 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.412 ' H ' ' C ' ' A' ' 107' ' ' GLU . 90.3 mt-30 48.08 59.35 4.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.718 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.83 138.98 30.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.363 175.431 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -122.26 133.07 54.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.78 -176.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.521 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 1.2 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.185 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLN . . . . . 0.447 ' OE1' HG23 ' A' ' 104' ' ' VAL . 26.4 mt-30 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.83 0.348 . . . . 1.0 110.459 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.436 ' CZ ' ' CD1' ' A' ' 94' ' ' LEU . 6.3 mmm180 -135.29 92.49 17.77 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.713 -179.426 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -51.21 145.36 26.85 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.778 2.319 . . . . 1.0 112.003 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.836 HG21 ' ND1' ' A' ' 139' ' ' HIS . 34.5 m -126.48 135.48 63.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.581 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.521 ' HA ' ' H ' ' A' ' 112' ' ' SER . 0.0 OUTLIER -41.86 156.65 0.22 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.467 179.503 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -57.07 -47.02 24.86 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.82 2.346 . . . . 1.0 111.897 -178.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -49.8 -25.46 3.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.351 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.836 ' ND1' HG21 ' A' ' 135' ' ' VAL . 42.5 t-80 -87.83 -42.94 12.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.254 176.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 59.3 t -49.93 -49.32 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.557 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -65.72 -39.63 91.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.461 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -46.15 -49.61 16.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.405 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.91 -48.42 63.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.418 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -57.13 -41.62 79.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.492 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 28.1 t -53.17 -27.5 21.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.521 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' MET . . . . . 0.477 ' O ' HD21 ' A' ' 74' ' ' LEU . 46.1 mtt -88.99 2.94 53.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.455 178.256 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 67.87 22.11 73.66 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 150' ' ' SER . 4.4 t -107.1 118.32 54.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.783 0.325 . . . . 1.0 110.708 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -79.96 -34.29 38.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.251 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.581 ' O ' HG12 ' A' ' 148' ' ' VAL . 30.7 t -108.8 143.44 37.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.074 -178.151 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 12.5 p -138.48 106.15 5.61 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.696 -0.402 . . . . 1.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 56.4 tp -98.45 126.26 43.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.99 -0.55 . . . . 1.0 109.973 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.722 HG23 HG22 ' A' ' 167' ' ' VAL . 10.6 p -120.99 147.15 25.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.058 0.456 . . . . 1.0 111.19 -179.163 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.419 ' CG2' ' C ' ' A' ' 153' ' ' VAL . 2.2 t -151.55 75.03 7.92 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 115.736 -0.665 . . . . 1.0 110.024 -177.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 155' ' ' PRO . . . . . 0.623 ' HD3' HG22 ' A' ' 153' ' ' VAL . 50.7 Cg_exo -49.56 154.62 4.24 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.948 2.432 . . . . 1.0 112.696 -177.131 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 58.0 mt -117.53 100.25 7.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.183 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 16.2 ptm -114.31 135.88 53.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.751 -178.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' HIS . . . . . 0.623 ' ND1' ' NE2' ' A' ' 159' ' ' HIS . 3.5 t-80 -116.76 124.66 50.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.397 177.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.623 ' NE2' ' ND1' ' A' ' 158' ' ' HIS . 63.2 m-70 70.55 -110.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.443 -178.208 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -121.34 0.41 10.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.41 -178.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -116.61 165.22 13.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.541 -177.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.473 HD22 HH21 ' A' ' 92' ' ' ARG . 4.0 mp -105.08 121.53 43.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.478 178.072 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 163' ' ' TRP . . . . . 0.437 ' CE3' ' OE2' ' A' ' 199' ' ' GLU . 79.1 m95 -103.28 -41.5 6.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.901 -177.534 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -138.31 -178.81 16.51 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.241 -0.744 . . . . 1.0 111.241 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.2 tp -149.18 126.11 11.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.703 0.287 . . . . 1.0 110.441 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.412 ' HB3' ' O ' ' A' ' 154' ' ' VAL . 12.1 tp -105.93 142.99 34.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.597 177.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 167' ' ' VAL . . . . . 0.722 HG22 HG23 ' A' ' 153' ' ' VAL . 71.0 t -152.46 146.43 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.78 -177.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 168' ' ' SER . . . . . 0.685 ' C ' ' HD1' ' A' ' 169' ' ' HIS . 1.1 m -128.46 138.58 52.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.354 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 169' ' ' HIS . . . . . 0.685 ' HD1' ' C ' ' A' ' 168' ' ' SER . 0.3 OUTLIER -133.89 140.07 46.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.762 -179.252 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 170' ' ' HIS . . . . . 0.642 ' CE1' ' HG1' ' A' ' 48' ' ' THR . 1.1 p-80 -173.7 172.74 3.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.487 -178.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.531 ' O ' ' O ' ' A' ' 170' ' ' HIS . . . -51.85 -160.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.56 178.536 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 172' ' ' GLU . . . . . 0.564 ' OE1' ' N ' ' A' ' 172' ' ' GLU . 0.0 OUTLIER -114.48 82.32 7.61 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.568 179.315 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 173' ' ' PRO . . . . . 0.449 ' O ' ' O ' ' A' ' 174' ' ' ARG . 94.1 Cg_endo -84.52 73.78 4.42 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.834 2.356 . . . . 1.0 112.069 178.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' A' ' 173' ' ' PRO . 57.9 mtt85 56.87 154.63 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.446 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -48.45 170.02 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.795 2.33 . . . . 1.0 112.045 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 176' ' ' TYR . . . . . 0.432 ' HE1' ' HG ' ' A' ' 150' ' ' SER . 0.1 OUTLIER -109.27 143.92 38.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.592 179.457 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 33.1 t -92.1 136.08 33.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.58 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -66.75 -38.38 86.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.546 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -60.33 -53.25 59.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.492 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -65.1 -31.51 72.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.46 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 26.5 tp -60.56 -41.26 94.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.384 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -57.99 -53.13 61.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.314 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 57.8 t -43.9 -46.67 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.156 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 184' ' ' VAL . . . . . 0.417 HG13 HD11 ' A' ' 46' ' ' LEU . 77.3 t -74.19 -38.66 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.21 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -47.03 -38.77 11.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.051 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 57.9 mt -73.72 -32.99 64.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.027 178.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 187' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 187' ' ' LEU . 24.3 tp -56.38 -32.62 64.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.116 179.105 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 188' ' ' ALA . . . . . 0.405 ' HB2' HG11 ' A' ' 154' ' ' VAL . . . -74.6 -39.58 62.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.049 178.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -56.37 -41.54 76.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.182 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 190' ' ' GLN . . . . . 0.469 ' O ' HG22 ' A' ' 193' ' ' ILE . 0.7 OUTLIER -53.33 -55.1 27.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.121 178.865 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 191' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 194' ' ' ALA . 97.2 t -53.51 -41.8 46.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.092 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 3.8 p -47.83 -30.31 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.114 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 193' ' ' ILE . . . . . 0.469 HG22 ' O ' ' A' ' 190' ' ' GLN . 1.1 tp -80.65 -32.56 13.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.172 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 194' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 191' ' ' VAL . . . -71.14 -46.13 62.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.299 -179.427 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 16.7 tt -65.18 -33.15 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.26 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 196' ' ' ALA . . . . . 0.484 ' HB2' ' CD2' ' A' ' 158' ' ' HIS . . . -75.83 -56.23 4.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.326 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -57.63 -24.71 57.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.363 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -73.96 -37.58 64.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.414 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 199' ' ' GLU . . . . . 0.437 ' OE2' ' CE3' ' A' ' 163' ' ' TRP . 91.0 mt-10 -53.46 -39.13 64.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.414 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 200' ' ' LEU . . . . . 0.617 ' N ' HD12 ' A' ' 200' ' ' LEU . 9.7 mp -56.97 -64.41 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.544 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 22.9 t -73.26 -63.87 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.436 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 31' ' ' LEU . 19.3 mt . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.934 -1.031 . . . . 1.0 110.532 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.473 HD11 HD12 ' A' ' 195' ' ' ILE . 7.8 tp . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.839 0.352 . . . . 1.0 110.645 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.0 p-10 -70.45 -31.77 69.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.597 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -79.12 -47.12 16.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.511 -178.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.9 tp -66.98 -27.94 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.55 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.61 ' O ' HG22 ' A' ' 38' ' ' THR . 82.3 mt -80.02 -22.97 41.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.623 -179.412 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -75.53 -35.13 60.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.538 178.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.48 -32.71 32.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.631 -177.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 35' ' ' LEU . 5.4 t -64.47 -45.04 89.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.624 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.55 ' N ' HG23 ' A' ' 38' ' ' THR . 53.9 t -58.57 -39.15 74.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.666 178.488 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.81 -38.22 76.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.588 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -62.59 -45.15 94.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.463 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.6 t -64.73 -40.31 88.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.525 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.567 ' O ' ' N ' ' A' ' 47' ' ' GLY . 61.9 ttp85 -51.77 -47.61 64.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.515 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.11 -36.03 76.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.513 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -79.03 -52.82 7.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.531 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 48' ' ' THR . 1.1 tp -78.93 -4.19 48.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.597 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.567 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 42.65 21.01 0.08 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 177.561 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.557 ' OG1' ' ND1' ' A' ' 170' ' ' HIS . 6.8 t -74.39 137.38 42.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.783 0.325 . . . . 1.0 110.626 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 50' ' ' ARG . 16.9 p30 -72.03 -14.91 62.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.564 -176.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.533 ' NH2' ' O ' ' A' ' 75' ' ' PRO . 14.7 ttt180 -151.77 118.05 5.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.977 0.417 . . . . 1.0 111.049 -178.499 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.5 ' HB ' HG21 ' A' ' 48' ' ' THR . 2.3 p -153.64 137.37 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.913 -0.585 . . . . 1.0 109.905 176.222 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.7 pttm -147.26 160.39 42.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.003 0.43 . . . . 1.0 111.299 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.454 HG12 ' HB3' ' A' ' 66' ' ' ALA . 5.1 p -97.43 138.68 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.741 -0.663 . . . . 1.0 109.882 178.032 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.428 ' O ' ' N ' ' A' ' 165' ' ' LEU . 30.5 t80 -121.03 118.78 30.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.91 0.386 . . . . 1.0 111.264 -177.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -95.83 162.03 13.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.961 -0.563 . . . . 1.0 109.885 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.525 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 89.4 t80 -128.85 145.61 51.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.902 0.382 . . . . 1.0 110.892 -178.136 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.525 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 24.3 m-20 -115.45 148.25 40.51 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.256 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -60.52 -21.83 69.85 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.673 2.249 . . . . 1.0 112.056 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -80.34 -6.16 57.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.447 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.36 22.19 27.61 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.765 -0.934 . . . . 1.0 110.765 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -116.48 138.62 51.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.898 0.38 . . . . 1.0 110.719 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -128.83 149.83 18.55 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.592 -1.003 . . . . 1.0 110.592 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.7 p -133.61 154.42 50.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.851 0.358 . . . . 1.0 110.716 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.8 t -98.73 114.63 36.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.223 175.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.677 HG22 ' O ' ' A' ' 65' ' ' VAL . 5.8 p -104.85 1.59 10.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.827 -175.371 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.454 ' HB3' HG12 ' A' ' 53' ' ' VAL . . . -160.37 147.36 15.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.378 . . . . 1.0 110.919 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.469 ' OE2' ' O ' ' A' ' 68' ' ' ALA . 7.8 tp10 -166.68 127.25 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.943 -0.572 . . . . 1.0 110.272 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.469 ' O ' ' OE2' ' A' ' 67' ' ' GLU . . . -131.48 150.24 52.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.82 178.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.533 ' NH2' ' O ' ' A' ' 71' ' ' GLY . 2.9 ptm180 -147.51 153.51 39.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.401 -179.319 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.75 -49.08 1.55 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.834 -0.906 . . . . 1.0 110.834 179.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.533 ' O ' ' NH2' ' A' ' 69' ' ' ARG . . . -98.25 -138.65 10.34 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.748 -0.941 . . . . 1.0 110.748 178.387 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.553 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -166.22 58.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.807 0.337 . . . . 1.0 110.542 178.867 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.543 ' NH1' ' HB2' ' A' ' 171' ' ' ALA . 16.4 ptp180 -89.0 -15.75 33.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.516 177.451 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.4 mt -134.4 163.26 52.43 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.506 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.533 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 6.3 Cg_exo -80.22 173.13 12.9 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.726 2.284 . . . . 1.0 112.06 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.6 p -91.24 133.92 35.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.684 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.527 ' CD1' ' NH2' ' A' ' 50' ' ' ARG . 15.3 mt -107.55 -6.55 16.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.477 -178.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 40.3 tp -48.74 136.92 12.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.498 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.37 -0.62 83.57 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.3 tp -97.28 131.63 43.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 1.0 110.511 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.74 125.08 38.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.654 178.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -96.12 142.4 24.52 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.516 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -78.94 138.55 14.72 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.78 2.32 . . . . 1.0 112.203 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.61 -32.98 63.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.633 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.98 -23.74 3.91 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.984 -0.846 . . . . 1.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -48.8 -20.56 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.778 0.323 . . . . 1.0 110.543 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.401 HG21 HD13 ' A' ' 87' ' ' ILE . 29.4 pt -144.59 144.74 25.93 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.527 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -78.85 -97.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.91 2.406 . . . . 1.0 112.105 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.415 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 21.7 pt-20 -170.94 -41.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.595 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.415 ' N ' ' CG ' ' A' ' 89' ' ' GLU . 21.8 pt-20 -54.45 -40.36 68.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.577 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.4 ' N ' ' CG ' ' A' ' 90' ' ' GLU . . . -63.59 -34.71 78.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.51 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -68.21 -23.02 64.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.529 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 97' ' ' LEU . 29.4 mmt180 -57.85 -56.35 23.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.526 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.58 ' O ' ' N ' ' A' ' 98' ' ' ALA . 32.9 mt -53.11 -36.48 60.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.502 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -67.56 -36.32 80.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.724 178.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -86.54 -22.03 26.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.693 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 93' ' ' ARG . 9.9 mp -103.92 -47.95 4.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.248 -177.485 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.58 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -95.02 -17.16 22.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.508 -176.344 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.501 ' C ' ' O ' ' A' ' 98' ' ' ALA . 91.4 mt-30 33.06 62.93 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.391 178.705 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.615 HG13 ' N ' ' A' ' 101' ' ' ARG . 12.4 p -117.46 -46.63 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.812 177.027 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.615 ' N ' HG13 ' A' ' 100' ' ' VAL . 0.0 OUTLIER 51.83 69.88 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.249 174.021 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.653 ' C ' HD12 ' A' ' 103' ' ' ILE . 11.6 p -143.79 124.89 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.584 179.347 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.653 HD12 ' C ' ' A' ' 102' ' ' VAL . 1.8 mp -109.16 131.34 60.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.694 179.404 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.463 HG22 ' H ' ' A' ' 104' ' ' VAL . 4.5 m -82.98 171.02 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.277 -178.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -50.9 121.07 5.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.462 -178.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.5 m -59.0 -9.86 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.534 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -79.68 -33.46 41.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.359 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.05 -9.91 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.358 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 47.23 58.39 4.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.717 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 p -87.7 139.9 30.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.419 175.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 43.2 ptt85 -123.04 132.93 54.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.798 -177.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.438 ' O ' ' OD2' ' A' ' 136' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.234 178.158 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.735 0.302 . . . . 1.0 110.499 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.485 ' CD ' HD13 ' A' ' 94' ' ' LEU . 14.9 mmt-85 -122.18 85.37 46.6 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.671 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -54.63 143.99 66.27 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.789 2.326 . . . . 1.0 111.923 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.802 HG21 ' ND1' ' A' ' 139' ' ' HIS . 31.2 m -122.69 130.02 74.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.575 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.67 ' OD1' ' N ' ' A' ' 136' ' ' ASP . 0.0 OUTLIER -42.84 174.19 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.42 179.612 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 140' ' ' VAL . 13.6 Cg_exo -67.56 -48.91 1.35 Allowed 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.863 2.375 . . . . 1.0 111.924 -178.157 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -47.57 -23.16 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.35 179.503 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.802 ' ND1' HG21 ' A' ' 135' ' ' VAL . 29.5 t-80 -88.41 -38.52 15.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.291 176.395 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 137' ' ' PRO . 68.7 t -50.43 -47.84 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.546 178.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -67.98 -42.35 80.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.494 178.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' TYR . . . . . 0.426 ' O ' ' OG ' ' A' ' 145' ' ' SER . 61.7 t80 -45.77 -54.74 7.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.494 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 51.4 mt -68.11 -50.95 51.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.388 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -55.1 -39.88 69.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.469 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 142' ' ' TYR . 59.1 p -54.91 -25.6 30.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.462 179.086 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 52.0 mtt -91.88 -0.35 57.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.423 178.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 67.96 22.18 73.87 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 148' ' ' VAL . 3.6 m -109.49 119.32 58.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.775 0.321 . . . . 1.0 110.676 179.148 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -88.47 -21.46 24.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.241 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.405 ' CB ' ' OH ' ' A' ' 176' ' ' TYR . 2.2 t -111.18 140.87 45.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.136 -179.106 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.4 t -145.79 118.05 8.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.92 0.39 . . . . 1.0 111.143 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 17.0 tp -115.27 135.69 53.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.006 -0.543 . . . . 1.0 109.995 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.48 155.55 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.12 0.486 . . . . 1.0 111.193 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.636 ' CG1' HD23 ' A' ' 166' ' ' LEU . 4.8 p -160.65 83.89 2.0 Allowed Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.633 -0.712 . . . . 1.0 109.936 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -50.83 156.26 4.83 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.922 2.415 . . . . 1.0 112.739 -176.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 28.7 mt -116.35 95.88 5.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.175 178.116 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 15.4 ptm -110.29 136.94 48.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.763 -177.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 158' ' ' HIS . . . . . 0.506 ' O ' ' HB3' ' A' ' 159' ' ' HIS . 20.0 t60 -120.43 122.84 41.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.341 177.076 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.506 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 25.2 t-80 77.63 -115.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.417 -177.655 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -121.0 1.81 10.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.376 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -117.03 166.18 12.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.621 -177.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 13.0 mt -105.66 123.75 48.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.479 178.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' TRP . . . . . 0.4 ' NE1' ' HB3' ' A' ' 158' ' ' HIS . 82.5 m95 -102.18 -35.57 8.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.906 -177.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -147.92 177.69 26.01 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.25 -0.74 . . . . 1.0 111.25 -178.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 165' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 54' ' ' TYR . 2.3 tp -143.92 130.41 20.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.689 0.28 . . . . 1.0 110.448 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.636 HD23 ' CG1' ' A' ' 154' ' ' VAL . 21.3 tp -104.68 143.56 32.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.547 179.18 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 7.7 p -151.64 139.54 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.644 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 42.4 m -125.35 146.88 49.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.381 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 169' ' ' HIS . . . . . 0.519 ' ND1' ' O ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -143.21 138.5 29.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.745 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 170' ' ' HIS . . . . . 0.557 ' ND1' ' OG1' ' A' ' 48' ' ' THR . 1.0 OUTLIER -172.13 170.25 5.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.489 -178.737 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.543 ' HB2' ' NH1' ' A' ' 73' ' ' ARG . . . -55.18 -174.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.601 178.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 67.9 tt0 -118.12 81.15 16.06 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.567 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -85.13 -37.14 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.895 2.396 . . . . 1.0 112.07 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -160.61 154.03 18.58 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.483 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -66.06 176.93 3.38 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.761 2.307 . . . . 1.0 112.057 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 176' ' ' TYR . . . . . 0.405 ' OH ' ' CB ' ' A' ' 150' ' ' SER . 0.1 OUTLIER -113.28 135.01 54.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.608 -179.811 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 50.5 m -89.12 139.06 30.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.568 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -65.98 -39.43 90.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.49 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 179' ' ' GLU . . . . . 0.513 ' CD ' ' H ' ' A' ' 179' ' ' GLU . 47.7 mp0 -62.91 -53.54 52.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.466 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -64.34 -33.18 75.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.384 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 26.0 tp -58.85 -42.04 88.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.372 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -56.2 -50.97 69.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.293 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 61.8 t -43.06 -46.31 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.172 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 184' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 187' ' ' LEU . 60.1 t -74.28 -38.59 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.162 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -47.33 -38.01 12.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.063 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 52.7 mt -73.86 -34.68 64.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.075 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 187' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 184' ' ' VAL . 26.3 tp -55.97 -32.56 63.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.126 178.657 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -73.49 -36.91 65.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.119 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -56.1 -39.55 72.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.123 178.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -53.95 -54.28 41.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.167 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 92.7 t -54.81 -42.35 61.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.026 -0.533 . . . . 1.0 110.162 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 2.5 m -49.77 -30.6 9.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.068 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 65.2 mt -81.46 -34.56 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.081 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -69.59 -45.53 68.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.23 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 195' ' ' ILE . . . . . 0.473 HD12 HD11 ' A' ' 31' ' ' LEU . 3.2 tp -64.6 -33.76 65.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.266 179.281 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 196' ' ' ALA . . . . . 0.474 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -76.14 -56.1 4.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.339 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -58.91 -26.61 64.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.374 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -75.18 -36.98 61.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.463 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -54.47 -39.1 67.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.401 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 40.2 mt -61.63 -58.6 7.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.462 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 22.2 t -61.68 -47.5 85.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.5 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 11.3 tp . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.018 -0.992 . . . . 1.0 110.549 179.937 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.785 HD12 ' HB2' ' A' ' 198' ' ' ALA . 9.9 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.843 0.354 . . . . 1.0 110.57 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -46.45 -30.6 2.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.644 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -77.12 -45.72 25.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.486 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.608 ' O ' HG23 ' A' ' 38' ' ' THR . 0.4 OUTLIER -67.31 -29.26 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.528 -179.753 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.486 ' O ' ' OG1' ' A' ' 38' ' ' THR . 95.4 mt -76.72 -25.08 53.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.653 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.518 ' NH1' ' OE2' ' A' ' 40' ' ' GLU . 0.6 OUTLIER -64.34 -32.43 74.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.523 177.546 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.86 -24.52 35.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.619 179.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 34' ' ' ILE . 73.6 p -71.49 -48.05 51.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.614 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' ' 36' ' ' ARG . 5.3 p -57.05 -38.18 58.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.61 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.518 ' OE2' ' NH1' ' A' ' 36' ' ' ARG . 98.0 mt-10 -70.02 -39.02 76.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.582 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -64.86 -44.77 88.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.481 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 70.2 t -60.27 -53.21 51.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.483 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 47' ' ' GLY . 6.3 tmm_? -51.1 -44.83 61.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.587 179.181 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.16 -40.96 95.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.556 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -71.65 -52.95 15.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.525 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 48' ' ' THR . 77.2 mt -78.85 -2.03 37.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.567 179.168 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 41.01 20.67 0.04 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 178.392 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.559 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.3 m -71.84 138.57 48.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 1.0 110.562 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.53 ' O ' ' HA ' ' A' ' 69' ' ' ARG . 93.3 m-20 -49.42 -43.27 44.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.574 -177.362 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.853 HH21 ' H ' ' A' ' 77' ' ' LEU . 72.5 ttt-85 -145.51 130.97 18.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.947 0.404 . . . . 1.0 111.036 -176.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.8 p -145.09 139.27 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.851 -0.613 . . . . 1.0 109.878 177.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.656 ' CE ' HH12 ' A' ' 50' ' ' ARG . 19.3 pttp -145.9 159.62 42.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.021 0.438 . . . . 1.0 111.317 -177.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 80.0 t -98.25 137.1 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.734 -0.666 . . . . 1.0 109.855 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.466 ' O ' ' N ' ' A' ' 165' ' ' LEU . 60.6 t80 -117.6 114.92 24.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.847 0.356 . . . . 1.0 111.197 -178.029 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -93.2 163.11 13.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.031 -0.531 . . . . 1.0 109.893 -179.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.536 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 81.3 t80 -132.27 147.4 52.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.938 0.399 . . . . 1.0 110.882 -178.426 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.577 ' N ' ' O ' ' A' ' 61' ' ' HIS . 15.5 m-20 -116.21 148.21 41.07 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.91 -0.587 . . . . 1.0 110.264 179.623 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.98 -28.74 88.69 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.756 2.304 . . . . 1.0 112.065 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -73.53 -7.19 50.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.389 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.43 23.81 13.58 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.792 -0.923 . . . . 1.0 110.792 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.577 ' O ' ' N ' ' A' ' 57' ' ' ASP . 78.5 m80 -119.6 141.11 49.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.859 0.361 . . . . 1.0 110.743 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -131.8 153.5 20.51 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.616 -0.994 . . . . 1.0 110.616 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 66.2 p -137.11 157.76 45.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.343 . . . . 1.0 110.747 -178.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.0 t -101.59 116.34 45.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.222 176.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.1 m -105.63 2.27 10.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.833 -175.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.441 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -156.71 147.44 21.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.902 0.382 . . . . 1.0 110.888 -179.262 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.571 ' OE2' ' N ' ' A' ' 68' ' ' ALA . 7.2 tp10 -165.39 123.69 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.323 179.678 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.571 ' N ' ' OE2' ' A' ' 67' ' ' GLU . . . -124.02 134.9 53.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.803 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.53 ' HA ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -119.25 141.46 48.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.507 -179.841 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.87 -81.88 1.49 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.31 -2.73 87.52 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.766 -0.933 . . . . 1.0 110.766 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 63.29 54.02 2.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.78 0.324 . . . . 1.0 110.53 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -80.06 -57.49 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.493 179.009 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 29.7 mt -90.14 147.42 36.99 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.45 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -64.21 166.44 16.87 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.804 2.336 . . . . 1.0 112.056 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.7 t -84.73 133.49 34.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.66 -179.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.853 ' H ' HH21 ' A' ' 50' ' ' ARG . 34.4 mt -112.11 -17.05 12.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.467 -179.303 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 77' ' ' LEU . 16.5 tp -34.32 138.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.545 -177.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.96 -0.03 69.0 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 mt -89.8 127.3 35.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 1.0 110.514 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.2 p -102.59 131.14 49.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.649 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.474 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 13.0 m-85 -106.64 141.6 23.17 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.544 -178.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -77.44 152.07 29.81 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.817 2.345 . . . . 1.0 112.131 177.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.76 -34.54 71.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.64 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.81 -26.92 8.67 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.028 -0.829 . . . . 1.0 111.028 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -55.45 -25.61 37.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.77 0.319 . . . . 1.0 110.549 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 38.0 mt -126.17 130.97 23.82 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.594 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -76.59 -111.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.778 2.319 . . . . 1.0 112.169 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -154.49 -56.93 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.541 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -49.72 -38.9 35.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.55 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.427 ' O ' ' CD2' ' A' ' 95' ' ' PHE . . . -70.41 -52.31 23.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.558 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -56.82 -26.51 58.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.531 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -67.15 -49.12 65.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.493 -177.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 98' ' ' ALA . 69.7 mt -47.07 -54.76 9.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.465 -177.048 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.566 ' CG ' ' CZ ' ' A' ' 101' ' ' ARG . 24.8 m-85 -56.43 -29.39 61.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.678 -178.567 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.534 ' C ' HD12 ' A' ' 97' ' ' LEU . 12.2 tpp180 -63.75 -27.31 69.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.711 175.034 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.556 HD12 ' N ' ' A' ' 97' ' ' LEU . 10.8 mp -106.19 -27.13 11.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.267 178.67 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -93.9 -32.57 13.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.452 -178.239 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.533 ' N ' ' O ' ' A' ' 95' ' ' PHE . 91.6 mt-30 36.13 65.34 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.386 179.215 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.508 HG13 ' N ' ' A' ' 101' ' ' ARG . 5.1 p -142.09 -42.07 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.829 178.61 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.566 ' CZ ' ' CG ' ' A' ' 95' ' ' PHE . 25.4 mmt180 52.62 90.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.28 176.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.569 ' C ' HD12 ' A' ' 103' ' ' ILE . 68.0 t -152.04 124.12 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.593 179.07 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.663 HD12 ' N ' ' A' ' 103' ' ' ILE . 1.8 mp -104.33 130.27 55.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.79 177.443 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.598 HG22 ' H ' ' A' ' 105' ' ' ASP . 9.6 p -84.3 169.7 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.341 -178.03 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.598 ' H ' HG22 ' A' ' 104' ' ' VAL . 5.6 m-20 -60.02 118.14 5.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.447 -178.674 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 106' ' ' VAL . 12.5 p -52.87 -12.15 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.58 179.318 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.724 ' C ' ' H ' ' A' ' 109' ' ' GLN . 4.0 pt-20 -93.63 -27.22 16.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.41 22.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.334 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.724 ' H ' ' C ' ' A' ' 107' ' ' GLU . 33.0 tp60 75.39 52.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.727 177.561 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 25.4 t -88.39 114.74 25.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.454 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -152.45 110.79 3.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.825 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 40.8 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.2 179.705 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.727 0.299 . . . . 1.0 110.453 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.545 ' CZ ' ' CD1' ' A' ' 94' ' ' LEU . 27.4 ttt85 -112.79 131.34 22.78 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.646 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.98 142.7 35.17 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.754 2.302 . . . . 1.0 112.013 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.623 ' O ' HG23 ' A' ' 135' ' ' VAL . 10.9 m -102.53 117.79 48.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.523 -179.301 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 138' ' ' CYS . 54.8 p-10 -49.94 150.31 4.11 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.425 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -45.66 -13.04 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.804 2.336 . . . . 1.0 111.905 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 136' ' ' ASP . 0.1 OUTLIER -69.99 -49.08 55.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.375 179.716 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.679 ' NE2' HD13 ' A' ' 143' ' ' LEU . 0.1 OUTLIER -83.0 -19.76 36.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.242 -178.719 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 44.5 t -52.11 -63.13 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.571 178.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.524 ' O ' ' N ' ' A' ' 145' ' ' SER . 7.3 m80 -60.65 -40.83 93.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.39 178.459 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -49.55 -58.81 4.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.445 178.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.679 HD13 ' NE2' ' A' ' 139' ' ' HIS . 1.3 tp -66.82 -51.8 51.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.471 -179.607 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 147' ' ' GLY . 3.2 tmtt? -57.43 -41.68 80.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.452 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.524 ' N ' ' O ' ' A' ' 141' ' ' HIS . 20.2 t -51.95 -25.54 8.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.51 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 29.6 mtt -92.36 -1.1 57.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.46 177.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 144' ' ' LYS . . . 74.93 26.62 66.37 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.3 t -109.82 117.75 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 1.0 110.711 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -79.82 -30.77 40.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.305 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.445 ' O ' ' CD2' ' A' ' 170' ' ' HIS . 26.2 m -146.12 121.74 10.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.135 -178.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 34.1 t -114.22 137.6 51.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.946 0.403 . . . . 1.0 111.032 178.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 37.9 tp -99.78 127.22 45.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.007 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.656 HG13 HG23 ' A' ' 167' ' ' VAL . 0.0 OUTLIER -128.07 159.09 39.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.021 0.439 . . . . 1.0 111.246 -178.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 3.4 t -149.12 126.5 5.57 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 115.731 -0.668 . . . . 1.0 109.985 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -77.05 126.99 9.03 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.966 2.444 . . . . 1.0 112.757 -173.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' LEU . . . . . 0.496 HD23 ' HB1' ' A' ' 188' ' ' ALA . 12.0 mt -104.0 93.94 5.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.239 177.59 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 23.6 ptm -121.05 138.89 53.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.782 -177.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 158' ' ' HIS . . . . . 0.621 ' CD2' ' CD2' ' A' ' 159' ' ' HIS . 70.3 t60 -112.86 123.52 50.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.402 177.247 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.621 ' CD2' ' CD2' ' A' ' 158' ' ' HIS . 7.8 m-70 61.01 -100.82 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.392 -178.016 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -124.61 5.47 8.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.427 -178.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.464 ' N ' ' OE1' ' A' ' 161' ' ' GLU . 38.2 mp0 -114.42 152.8 30.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.609 -176.055 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 11.7 tp -106.32 123.23 47.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.399 176.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' TRP . . . . . 0.415 ' HE1' ' HB3' ' A' ' 158' ' ' HIS . 74.9 m95 -100.34 -42.22 6.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.948 -176.386 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -150.91 -175.09 22.5 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.194 -0.762 . . . . 1.0 111.194 -176.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 165' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 54' ' ' TYR . 45.6 tp -150.13 134.53 17.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.759 0.314 . . . . 1.0 110.422 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 66.2 tp -98.38 138.12 36.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.589 178.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 167' ' ' VAL . . . . . 0.656 HG23 HG13 ' A' ' 153' ' ' VAL . 10.1 p -143.42 138.6 26.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.732 -178.314 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 168' ' ' SER . . . . . 0.451 ' OG ' HG21 ' A' ' 48' ' ' THR . 0.1 OUTLIER -123.54 143.44 50.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.302 177.361 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -118.27 128.98 55.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.784 -178.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 170' ' ' HIS . . . . . 0.445 ' CD2' ' O ' ' A' ' 150' ' ' SER . 1.8 p-80 -168.12 162.35 12.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.474 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -61.0 -152.26 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.607 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -124.2 75.3 59.98 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.588 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -81.24 -59.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.849 2.366 . . . . 1.0 112.094 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -146.22 152.83 47.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.524 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.99 178.19 2.54 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.772 2.315 . . . . 1.0 112.065 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -108.97 140.02 43.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.57 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 25.1 t -91.22 141.38 28.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.523 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -64.65 -38.5 91.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.518 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -63.38 -57.58 9.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.479 -179.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -62.89 -34.54 77.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.433 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 26.3 tp -58.84 -41.23 86.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.403 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -58.57 -51.06 71.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.339 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 49.6 t -42.06 -47.94 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.174 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 97.1 t -73.96 -38.78 50.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.226 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -47.36 -39.21 14.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.117 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 17.8 tp -71.76 -34.95 69.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.028 177.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 12.7 tp -55.54 -31.98 62.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.086 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 188' ' ' ALA . . . . . 0.496 ' HB1' HD23 ' A' ' 156' ' ' LEU . . . -74.39 -35.74 63.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.083 178.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -60.05 -42.8 95.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.195 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -51.64 -53.81 34.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.191 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 72.1 t -55.28 -40.63 57.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.117 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 3.2 t -47.72 -37.16 12.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.074 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 193' ' ' ILE . . . . . 0.479 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -77.38 -34.38 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.111 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -70.9 -49.81 41.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.228 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 195' ' ' ILE . . . . . 0.482 HG23 ' N ' ' A' ' 196' ' ' ALA . 10.7 tp -66.02 -40.05 86.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.244 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 196' ' ' ALA . . . . . 0.482 ' N ' HG23 ' A' ' 195' ' ' ILE . . . -56.69 -38.29 72.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.335 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -69.83 -22.44 63.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.395 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 198' ' ' ALA . . . . . 0.785 ' HB2' HD12 ' A' ' 31' ' ' LEU . . . -74.38 -35.94 63.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.451 -179.201 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -62.65 -49.47 75.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.372 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 42.1 tp -68.84 -52.99 24.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.539 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 26.0 m -52.69 -41.59 64.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.565 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 15.8 tp . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.031 -0.985 . . . . 1.0 110.609 179.815 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.411 HD21 ' CD1' ' A' ' 195' ' ' ILE . 48.4 tp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.882 0.372 . . . . 1.0 110.572 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -53.26 -34.32 56.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.579 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -76.4 -50.84 13.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.567 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.531 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.5 mp -53.4 -47.48 58.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.493 -178.114 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 87.0 mt -66.96 -27.08 67.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.657 -177.065 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -34.86 61.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.62 177.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.69 -27.22 29.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.662 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.6 p -68.67 -50.57 50.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.671 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.474 HG13 ' N ' ' A' ' 40' ' ' GLU . 9.3 p -56.39 -39.92 63.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.673 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.474 ' N ' HG13 ' A' ' 39' ' ' VAL . 91.8 mt-10 -73.56 -40.47 63.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.56 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -61.44 -51.79 67.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.512 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.9 t -58.89 -49.52 82.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.468 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.547 ' O ' ' N ' ' A' ' 47' ' ' GLY . 38.7 ttp180 -47.52 -43.82 25.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.515 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.64 -37.11 77.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.549 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -76.04 -50.75 13.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.548 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.55 ' O ' ' N ' ' A' ' 48' ' ' THR . 39.0 mt -80.16 -0.43 35.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.507 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.547 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.72 22.13 0.05 OUTLIER Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 178.06 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.686 HG22 ' H ' ' A' ' 50' ' ' ARG . 1.3 m -75.26 138.06 41.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.818 0.342 . . . . 1.0 110.598 179.614 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.51 ' OD2' ' NH2' ' A' ' 73' ' ' ARG . 53.8 p30 -73.02 -15.51 61.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.596 -176.397 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.686 ' H ' HG22 ' A' ' 48' ' ' THR . 44.8 ttp180 -150.49 116.99 5.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.966 0.412 . . . . 1.0 110.985 -179.295 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 167' ' ' VAL . 9.3 p -148.58 135.84 13.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.843 -0.617 . . . . 1.0 109.885 177.005 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -144.35 162.3 36.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.114 0.483 . . . . 1.0 111.233 -178.007 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.416 HG22 ' CD1' ' A' ' 166' ' ' LEU . 63.2 t -101.19 136.31 33.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.703 -0.681 . . . . 1.0 109.898 178.04 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.405 ' CZ ' ' HA3' ' A' ' 62' ' ' GLY . 32.2 t80 -118.81 117.83 29.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.932 0.396 . . . . 1.0 111.202 -178.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.0 mtp85 -95.33 162.06 13.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.968 -0.56 . . . . 1.0 109.912 179.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -129.17 143.71 50.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.895 0.378 . . . . 1.0 110.906 -178.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -114.75 133.53 22.56 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.283 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -44.88 -24.59 1.28 Allowed 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.71 2.273 . . . . 1.0 112.053 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -78.32 -6.43 55.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.472 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.5 19.48 35.02 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.761 -0.936 . . . . 1.0 110.761 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -113.32 137.81 50.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.865 0.364 . . . . 1.0 110.726 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.405 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -128.87 149.92 18.6 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.668 -0.973 . . . . 1.0 110.668 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.477 HG22 HG22 ' A' ' 81' ' ' THR . 1.7 p -134.81 155.64 50.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 1.0 110.733 -178.371 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.461 HG12 HD12 ' A' ' 78' ' ' LEU . 10.9 t -97.55 111.83 28.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.223 175.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 65' ' ' VAL . 9.5 p -102.39 -2.65 9.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.808 -175.342 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -157.34 146.73 20.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.909 0.385 . . . . 1.0 110.897 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -168.63 126.83 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.268 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -132.53 151.62 51.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.795 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.527 ' O ' ' NH1' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -136.7 143.94 43.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.418 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.45 3.38 79.05 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.833 -0.907 . . . . 1.0 110.833 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -159.63 -114.88 0.38 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.781 -0.928 . . . . 1.0 110.781 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 179.98 44.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.831 0.348 . . . . 1.0 110.594 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.713 ' NH2' ' H ' ' A' ' 171' ' ' ALA . 40.8 ttp180 -78.27 -57.46 3.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.523 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 40.3 mt -92.46 146.67 32.9 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.545 177.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -66.53 168.39 16.59 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.74 2.294 . . . . 1.0 112.059 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 54.9 p -90.17 140.92 29.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.72 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.484 ' O ' ' C ' ' A' ' 78' ' ' LEU . 43.2 mt -116.38 -19.87 9.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.466 -179.065 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.484 ' C ' ' O ' ' A' ' 77' ' ' LEU . 23.2 tp -34.03 140.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.491 -177.467 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.5 -0.65 71.27 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.81 -0.916 . . . . 1.0 110.81 178.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.3 mt -97.64 134.0 41.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.793 0.33 . . . . 1.0 110.514 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.477 HG22 HG22 ' A' ' 63' ' ' THR . 1.1 p -97.71 124.87 42.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.656 177.575 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -100.82 146.05 31.44 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.499 -178.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.4 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 76.5 Cg_endo -79.31 145.16 18.75 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.89 2.393 . . . . 1.0 112.18 178.509 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.87 -33.94 75.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.591 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.87 -22.8 6.36 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.021 -0.832 . . . . 1.0 111.021 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 87' ' ' ILE . 38.6 p-10 -58.62 -33.03 69.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 1.0 110.587 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.527 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 83.4 mt -119.27 102.42 48.44 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.442 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.496 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 81.4 Cg_exo -43.5 -108.69 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.82 2.347 . . . . 1.0 112.157 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.496 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 85.0 tt0 -166.35 -42.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.575 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -53.56 -36.8 62.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.531 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.24 -38.95 86.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.622 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.505 HH21 HD22 ' A' ' 162' ' ' LEU . 83.8 mtp180 -70.38 -26.58 63.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.553 -178.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -56.71 -54.57 44.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.518 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.637 HD12 ' N ' ' A' ' 94' ' ' LEU . 9.1 mp -54.77 -38.03 66.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.522 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -59.97 -31.64 70.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.698 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -88.63 -19.92 25.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.706 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.4 mt -102.79 -47.21 4.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.202 -177.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.575 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -99.73 -17.86 17.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.393 -175.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.477 ' C ' ' O ' ' A' ' 98' ' ' ALA . 89.3 mt-30 35.43 64.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.369 178.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.55 ' CG2' HH12 ' A' ' 133' ' ' ARG . 16.1 t -111.08 -48.16 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.845 177.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.562 HH21 HG13 ' A' ' 154' ' ' VAL . 0.0 OUTLIER 54.12 64.75 1.72 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.289 175.062 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.593 ' C ' HD12 ' A' ' 103' ' ' ILE . 8.0 p -147.81 124.56 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.637 179.522 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.593 HD12 ' C ' ' A' ' 102' ' ' VAL . 1.7 mp -108.04 131.38 58.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.713 177.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 10.6 m -82.21 168.69 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.369 -178.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.435 ' C ' ' H ' ' A' ' 107' ' ' GLU . 10.6 m-20 -55.2 119.47 5.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.462 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.6 p -51.46 -11.93 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.571 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.733 ' C ' ' H ' ' A' ' 109' ' ' GLN . 7.1 pt-20 -98.02 -26.32 14.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.328 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 105' ' ' ASP . . . -60.86 23.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.343 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.733 ' H ' ' C ' ' A' ' 107' ' ' GLU . 40.7 tp60 74.65 50.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.004 -0.543 . . . . 1.0 110.677 177.398 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.33 114.83 24.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.457 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -150.24 108.73 3.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.809 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.581 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 18.1 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.17 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.713 0.292 . . . . 1.0 110.495 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.55 HH12 ' CG2' ' A' ' 100' ' ' VAL . 3.9 mmt85 -121.19 83.78 39.44 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.641 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.447 ' C ' ' OG ' ' A' ' 112' ' ' SER . 51.0 Cg_exo -51.7 144.49 33.94 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.764 2.31 . . . . 1.0 111.928 -179.227 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.525 HG11 ' CE1' ' A' ' 139' ' ' HIS . 24.5 m -105.1 160.91 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.564 -178.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.581 ' HA ' ' H ' ' A' ' 112' ' ' SER . 0.0 OUTLIER -94.39 161.24 29.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.433 -179.72 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -53.03 -23.96 23.45 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.874 2.382 . . . . 1.0 111.912 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' CYS . . . . . 0.531 ' SG ' ' N ' ' A' ' 139' ' ' HIS . 0.1 OUTLIER -68.77 -40.69 79.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.423 178.526 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.531 ' N ' ' SG ' ' A' ' 138' ' ' CYS . 0.0 OUTLIER -81.45 -26.32 35.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.268 179.499 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 38.3 t -50.54 -54.04 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.477 178.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -63.49 -40.08 96.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.438 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -45.26 -54.39 7.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.464 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 143' ' ' LEU . 21.8 mt -70.95 -50.86 29.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.34 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -55.9 -42.23 75.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.437 -178.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 21.9 t -54.19 -26.4 27.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.569 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 52.6 mtt -94.25 -2.54 52.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.531 177.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 70.05 24.25 76.63 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.931 -0.868 . . . . 1.0 110.931 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 148' ' ' VAL . 6.4 p -110.88 123.57 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.341 . . . . 1.0 110.684 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -94.83 -19.05 20.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.278 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.432 ' O ' HG22 ' A' ' 148' ' ' VAL . 37.2 t -110.34 138.69 46.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.061 -178.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.464 ' OG ' HG21 ' A' ' 103' ' ' ILE . 5.2 p -145.43 120.75 10.25 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.698 -0.401 . . . . 1.0 111.081 179.522 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 16.8 tp -120.42 136.58 54.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 1.0 109.999 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.434 HG23 ' C ' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -120.11 149.06 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.012 0.434 . . . . 1.0 111.22 -178.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.562 HG13 HH21 ' A' ' 101' ' ' ARG . 0.9 OUTLIER -151.24 77.32 7.5 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.719 -0.673 . . . . 1.0 109.948 -179.062 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 155' ' ' PRO . . . . . 0.403 ' HD2' ' NE ' ' A' ' 101' ' ' ARG . 28.9 Cg_endo -61.15 156.92 42.26 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.987 2.458 . . . . 1.0 112.691 -175.688 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 35.2 mt -118.69 94.21 4.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.256 178.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 18.1 ptm -108.75 135.7 49.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.781 -177.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 158' ' ' HIS . . . . . 0.507 ' O ' ' HB3' ' A' ' 159' ' ' HIS . 55.3 t60 -120.45 122.9 41.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.44 177.136 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.507 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 62.6 t60 78.47 -117.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.365 -177.34 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -121.51 7.85 10.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.45 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.538 ' C ' HD12 ' A' ' 162' ' ' LEU . 12.0 mt-10 -118.02 162.16 18.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.558 -177.311 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.549 HD12 ' N ' ' A' ' 162' ' ' LEU . 10.8 mp -105.46 126.3 51.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.417 177.659 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 163' ' ' TRP . . . . . 0.443 ' NE1' ' HB3' ' A' ' 158' ' ' HIS . 97.7 m95 -102.87 -37.29 7.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.881 -176.618 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -148.94 177.95 26.83 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.196 -0.761 . . . . 1.0 111.196 -177.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 33.5 tp -144.72 131.37 19.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.76 0.314 . . . . 1.0 110.418 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.416 ' CD1' HG22 ' A' ' 53' ' ' VAL . 7.7 tp -102.77 148.8 25.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.593 179.327 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 167' ' ' VAL . . . . . 0.492 ' O ' HG23 ' A' ' 51' ' ' VAL . 4.6 p -152.57 137.47 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.76 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.17 140.21 52.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.353 178.122 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 169' ' ' HIS . . . . . 0.483 ' O ' ' OD1' ' A' ' 49' ' ' ASP . 98.5 m-70 -135.12 134.12 39.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.746 -179.003 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 170' ' ' HIS . . . . . 0.509 ' O ' HG23 ' A' ' 148' ' ' VAL . 2.4 p80 -170.1 168.13 8.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.519 -179.163 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.713 ' H ' ' NH2' ' A' ' 73' ' ' ARG . . . -56.65 -170.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.578 179.381 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -118.69 80.36 17.26 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.601 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -84.73 -59.16 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.893 2.395 . . . . 1.0 112.086 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 2.9 ptp85 -142.51 152.65 60.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.573 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.12 176.25 4.05 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.854 2.369 . . . . 1.0 112.029 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 176' ' ' TYR . . . . . 0.414 ' CD1' ' O ' ' A' ' 176' ' ' TYR . 20.3 p90 -115.59 137.48 52.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.625 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 26.2 t -90.23 143.92 26.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.558 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 178' ' ' GLN . . . . . 0.489 ' CD ' ' H ' ' A' ' 178' ' ' GLN . 27.5 mp0 -63.93 -32.77 74.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.509 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.11 -45.74 91.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.496 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -72.77 -30.92 64.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.417 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 29.6 tp -56.89 -37.08 70.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.432 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -68.99 -51.21 41.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.33 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 57.2 t -43.08 -49.34 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.168 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 184' ' ' VAL . . . . . 0.416 HG11 HD21 ' A' ' 46' ' ' LEU . 27.2 m -75.4 -34.64 30.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.172 -179.31 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -48.86 -39.88 27.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.11 177.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 53.1 mt -74.04 -33.0 63.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.038 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 30.4 tp -56.8 -32.2 65.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.101 179.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -74.91 -39.15 61.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.083 178.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -55.29 -39.71 70.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.158 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -54.26 -53.81 48.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.118 178.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 44.0 t -55.31 -41.79 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.141 178.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 3.9 t -48.56 -32.14 7.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.01 179.285 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 64.9 mt -80.44 -34.28 14.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.159 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -70.21 -46.52 64.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.266 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 195' ' ' ILE . . . . . 0.506 HG23 ' N ' ' A' ' 196' ' ' ALA . 8.3 tp -64.21 -42.1 94.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.255 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 196' ' ' ALA . . . . . 0.506 ' N ' HG23 ' A' ' 195' ' ' ILE . . . -67.43 -53.68 26.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.346 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -60.25 -24.54 64.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.373 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -74.39 -37.57 63.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.462 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -55.0 -38.8 68.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.481 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 40.1 tp -62.45 -57.41 11.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.478 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 29.4 m -52.85 -41.93 64.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.534 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 44.6 mt . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 117.951 -1.023 . . . . 1.0 110.564 179.56 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.0 mt . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.774 0.321 . . . . 1.0 110.51 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.451 ' OD1' HG11 ' A' ' 65' ' ' VAL . 65.9 m-20 -72.67 -33.56 66.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.562 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -76.85 -55.0 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.512 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.532 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.5 mp -51.02 -54.6 9.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.638 -178.025 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.0 mt -58.44 -31.85 68.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.638 -177.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.531 ' HE ' ' C ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -50.3 -40.23 47.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.607 179.521 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.27 -26.16 42.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.659 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.2 p -71.49 -43.26 66.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.592 178.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.548 HG21 ' CB ' ' A' ' 66' ' ' ALA . 81.1 t -58.63 -40.68 79.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.688 179.016 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -72.13 -41.69 66.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.602 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -60.62 -45.55 93.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.429 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.477 ' CG1' HD12 ' A' ' 46' ' ' LEU . 55.7 t -63.91 -47.46 90.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.555 179.608 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.521 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.8 OUTLIER -48.05 -44.75 31.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.548 179.667 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.07 -38.15 85.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.498 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -76.7 -52.3 9.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.583 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.477 HD12 ' CG1' ' A' ' 42' ' ' VAL . 95.9 mt -80.23 -3.76 50.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.626 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 41.78 67.2 0.86 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.976 -0.85 . . . . 1.0 110.976 178.42 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.5 136.26 53.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.817 0.342 . . . . 1.0 110.543 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.542 ' OD2' ' NE ' ' A' ' 73' ' ' ARG . 24.0 p30 -70.74 -14.13 62.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.593 -177.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.541 ' NH1' ' OE2' ' A' ' 67' ' ' GLU . 57.6 ttm-85 -155.81 116.73 3.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.98 0.419 . . . . 1.0 111.008 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.0 p -151.66 138.28 12.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.818 -0.628 . . . . 1.0 109.799 176.003 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -146.98 162.6 38.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.103 0.478 . . . . 1.0 111.237 -177.366 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.7 p -101.46 137.16 30.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.694 -0.684 . . . . 1.0 109.899 177.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.4 ' CZ ' ' HA3' ' A' ' 62' ' ' GLY . 14.8 t80 -120.3 118.81 31.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.911 0.386 . . . . 1.0 111.201 -177.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -94.74 164.21 13.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.001 -0.545 . . . . 1.0 109.836 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.544 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 77.4 t80 -130.37 146.89 52.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.94 0.4 . . . . 1.0 110.903 -178.412 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.544 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 23.4 m-20 -116.43 147.68 40.15 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.249 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.99 -24.9 75.5 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.805 2.337 . . . . 1.0 112.083 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.3 mp0 -77.05 -6.87 54.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.34 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.87 23.82 19.4 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.786 -0.925 . . . . 1.0 110.786 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.429 ' O ' ' N ' ' A' ' 57' ' ' ASP . 93.0 m-70 -119.19 140.92 49.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 1.0 110.738 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.695 ' O ' HG23 ' A' ' 81' ' ' THR . . . -133.36 153.97 21.02 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.708 -0.957 . . . . 1.0 110.708 179.261 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 21.8 p -138.24 159.14 42.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.892 0.377 . . . . 1.0 110.712 -177.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.496 HG12 HD12 ' A' ' 78' ' ' LEU . 5.5 t -100.22 113.2 35.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.198 175.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.451 HG11 ' OD1' ' A' ' 32' ' ' ASP . 29.2 m -101.53 1.91 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.844 -175.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.548 ' CB ' HG21 ' A' ' 39' ' ' VAL . . . -162.34 151.62 15.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.949 0.404 . . . . 1.0 110.864 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.541 ' OE2' ' NH1' ' A' ' 50' ' ' ARG . 71.7 tt0 -166.35 126.23 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.202 -179.345 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -125.95 145.75 50.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.82 179.03 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.471 ' H ' ' HD2' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -143.45 151.23 40.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.48 -179.266 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -100.01 -55.76 0.98 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.876 -0.889 . . . . 1.0 110.876 178.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.85 -131.55 4.51 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.726 -0.949 . . . . 1.0 110.726 178.403 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -172.74 59.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.807 0.337 . . . . 1.0 110.547 178.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.615 HH12 ' HB2' ' A' ' 171' ' ' ALA . 17.2 ptp180 -91.8 -16.64 26.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.451 177.418 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.52 ' HB2' ' HE ' ' A' ' 50' ' ' ARG . 12.2 mt -132.23 151.81 79.02 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.466 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.531 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 49.8 Cg_endo -71.98 172.36 14.81 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.79 2.327 . . . . 1.0 112.094 179.162 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.8 t -84.23 115.76 22.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.67 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.5 ' O ' ' C ' ' A' ' 78' ' ' LEU . 36.9 mt -90.21 -25.42 20.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.494 -178.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.5 ' C ' ' O ' ' A' ' 77' ' ' LEU . 6.3 tp -32.79 139.01 0.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.589 -178.42 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.28 0.02 68.14 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.844 -0.902 . . . . 1.0 110.844 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 mt -92.0 129.59 37.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.79 0.329 . . . . 1.0 110.561 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.695 HG23 ' O ' ' A' ' 62' ' ' GLY . 23.6 m -94.68 120.47 34.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.663 177.248 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.429 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 15.9 m-85 -98.01 144.02 27.28 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.498 -178.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.405 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 71.8 Cg_endo -78.91 140.37 16.07 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.797 2.331 . . . . 1.0 112.187 178.449 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.37 -34.33 66.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.718 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -51.44 -23.09 8.54 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.003 -0.839 . . . . 1.0 111.003 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.543 ' OD1' ' N ' ' A' ' 87' ' ' ILE . 40.5 p-10 -59.53 -29.58 67.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.803 0.335 . . . . 1.0 110.599 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.561 ' O ' ' O ' ' A' ' 88' ' ' PRO . 95.7 mt -118.92 99.31 51.13 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.467 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.561 ' O ' ' O ' ' A' ' 87' ' ' ILE . 88.0 Cg_exo -45.59 -116.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.872 2.381 . . . . 1.0 112.146 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.431 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 42.5 tp10 -156.97 -58.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.518 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -45.12 -37.45 4.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.592 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.524 ' HB1' HH22 ' A' ' 133' ' ' ARG . . . -69.5 -51.23 37.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.561 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -55.64 -25.61 40.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.545 -178.028 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -63.22 -49.67 73.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.528 -178.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' A' ' 98' ' ' ALA . 57.3 mt -47.8 -50.93 24.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.459 -178.383 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -56.86 -27.26 60.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.689 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -87.64 -21.62 25.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.621 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.6 mp -104.06 -49.66 3.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.232 -177.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.567 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -96.09 -15.6 22.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.413 -175.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.503 ' C ' ' O ' ' A' ' 98' ' ' ALA . 89.1 mt-30 33.22 62.14 0.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.348 178.741 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.63 HG23 ' N ' ' A' ' 101' ' ' ARG . 22.7 m -110.55 -48.89 6.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.87 177.08 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.63 ' N ' HG23 ' A' ' 100' ' ' VAL . 0.4 OUTLIER 55.14 67.06 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.252 174.079 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.627 ' C ' HD12 ' A' ' 103' ' ' ILE . 12.7 p -148.04 126.85 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.614 179.186 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.715 HD12 ' N ' ' A' ' 103' ' ' ILE . 2.6 mp -112.95 136.06 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.667 178.46 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.686 HG12 ' N ' ' A' ' 105' ' ' ASP . 46.1 t -84.62 170.52 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.303 -178.686 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.686 ' N ' HG12 ' A' ' 104' ' ' VAL . 82.2 m-20 -49.99 120.81 4.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.42 -179.185 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 15.1 m -56.52 -6.96 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.579 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.436 ' H ' ' C ' ' A' ' 105' ' ' ASP . 1.7 pp20? -77.92 -33.17 51.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.339 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.27 -14.58 27.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.337 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 48.91 61.0 3.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.738 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.2 m -86.63 139.93 30.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.437 175.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 71.7 mtm-85 -121.79 131.93 54.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.839 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.446 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 5.7 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.186 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.74 0.305 . . . . 1.0 110.455 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.524 HH22 ' HB1' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -130.54 115.99 17.25 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.658 -179.36 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -80.27 144.66 16.52 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.781 2.32 . . . . 1.0 111.965 178.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.445 HG21 ' ND1' ' A' ' 139' ' ' HIS . 23.6 m -127.59 135.11 64.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.544 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.446 ' HA ' ' H ' ' A' ' 112' ' ' SER . 0.3 OUTLIER -46.87 160.12 0.34 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.478 179.481 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.93 -12.59 2.1 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.861 2.374 . . . . 1.0 111.884 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -47.61 85.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.395 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.744 ' CE1' HD22 ' A' ' 143' ' ' LEU . 1.3 t-80 -82.56 -27.73 31.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.292 -177.471 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 88.5 t -54.7 -63.12 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.493 -179.061 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -64.58 -45.03 88.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.429 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -43.98 -44.96 7.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.501 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.744 HD22 ' CE1' ' A' ' 139' ' ' HIS . 1.8 mp -72.05 -48.52 43.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.383 178.328 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -54.33 -42.51 70.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.446 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.5 m -53.21 -25.24 13.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.547 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 37.7 mtt -93.03 -3.06 55.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.409 178.003 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 69.74 23.72 76.66 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 148' ' ' VAL . 5.4 p -109.99 123.59 66.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.78 0.324 . . . . 1.0 110.659 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -94.53 -25.85 16.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.243 -179.02 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 32.3 t -103.43 138.02 40.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.099 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.687 ' HB3' HD21 ' A' ' 143' ' ' LEU . 0.0 OUTLIER -143.29 118.93 10.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.941 0.4 . . . . 1.0 111.04 179.622 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 59.1 tp -116.78 133.82 55.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.02 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.437 HG23 ' HB3' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -118.96 152.05 21.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.117 0.484 . . . . 1.0 111.213 -178.596 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 188' ' ' ALA . 66.9 t -152.41 75.18 7.24 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 115.724 -0.671 . . . . 1.0 109.924 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -53.63 151.06 26.09 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.897 2.398 . . . . 1.0 112.669 -176.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 42.1 mt -117.63 96.35 5.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.833 -0.621 . . . . 1.0 110.21 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 19.7 ptm -118.14 137.89 52.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.775 -178.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 158' ' ' HIS . . . . . 0.627 ' ND1' ' CD2' ' A' ' 159' ' ' HIS . 6.9 t-80 -117.59 135.08 54.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.376 177.568 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.627 ' CD2' ' ND1' ' A' ' 158' ' ' HIS . 84.8 m-70 65.76 -115.7 0.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.311 -178.238 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -119.57 4.55 11.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.448 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -117.11 165.39 13.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.518 . . . . 1.0 110.616 -177.049 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 19.5 tp -107.4 122.49 46.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.474 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -99.89 -37.19 9.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.882 -177.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -150.59 -178.39 25.41 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.196 -0.762 . . . . 1.0 111.196 -178.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.2 tp -147.14 144.73 29.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.772 0.32 . . . . 1.0 110.412 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 166' ' ' LEU . 13.9 tp -117.7 141.93 47.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.586 178.491 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 20.6 t -148.57 133.96 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.702 -177.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 16.9 m -118.25 145.67 44.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.383 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 169' ' ' HIS . . . . . 0.651 ' ND1' ' N ' ' A' ' 169' ' ' HIS . 0.0 OUTLIER -140.8 133.64 29.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.776 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 170' ' ' HIS . . . . . 0.724 ' CD2' ' N ' ' A' ' 171' ' ' ALA . 21.1 t60 -169.93 163.73 9.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.506 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.724 ' N ' ' CD2' ' A' ' 170' ' ' HIS . . . -52.01 -171.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.596 178.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -121.78 79.29 40.14 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.651 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -83.83 -48.14 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.848 2.365 . . . . 1.0 112.107 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 76.2 mtm180 -146.37 151.84 44.75 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.494 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -68.26 176.25 5.79 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.807 2.338 . . . . 1.0 112.091 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 176' ' ' TYR . . . . . 0.482 ' OH ' ' CG2' ' A' ' 102' ' ' VAL . 21.3 p90 -117.34 135.84 53.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.611 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 54.3 p -86.01 143.54 28.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.535 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 178' ' ' GLN . . . . . 0.453 ' CD ' ' H ' ' A' ' 178' ' ' GLN . 27.4 mp0 -67.06 -36.9 83.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.497 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -58.89 -47.35 85.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.494 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.93 -32.96 70.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.459 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 25.3 tp -56.03 -45.44 79.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.406 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 182' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 185' ' ' GLN . 81.9 mt-30 -60.11 -53.03 62.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.285 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 81.0 t -42.1 -42.74 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.132 178.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 184' ' ' VAL . . . . . 0.426 HG21 HD21 ' A' ' 46' ' ' LEU . 85.2 t -74.5 -37.6 44.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.176 179.223 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 182' ' ' GLN . 61.2 tt0 -48.47 -39.18 22.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.048 178.183 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 27.8 tp -72.06 -34.02 68.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.049 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 22.4 tp -56.38 -30.53 62.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.128 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 188' ' ' ALA . . . . . 0.473 ' HB2' ' CG1' ' A' ' 154' ' ' VAL . . . -71.97 -38.04 69.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.095 178.331 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -56.48 -40.95 75.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.163 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -53.46 -55.59 24.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.138 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 84.3 t -56.84 -41.71 76.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.089 178.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 3.8 t -49.44 -34.5 16.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.179 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.5 mp -78.97 -33.98 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.15 178.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -70.85 -46.91 61.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.245 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 2.7 tp -65.28 -33.82 66.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.28 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 196' ' ' ALA . . . . . 0.501 ' HB2' ' CD2' ' A' ' 158' ' ' HIS . . . -74.45 -54.99 6.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.3 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -62.14 -26.06 68.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.386 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -73.43 -39.58 64.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.413 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -53.28 -36.77 61.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.366 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 40.5 tp -64.58 -56.68 12.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.523 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 19.3 m -63.63 -50.11 70.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.531 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 31.4 mt . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.025 -0.988 . . . . 1.0 110.499 -179.903 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 tp . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.785 0.326 . . . . 1.0 110.518 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -54.24 -48.75 70.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.536 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -61.08 -46.08 92.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.582 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.593 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.4 mp -64.87 -32.07 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.626 -178.374 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.456 ' O ' HG22 ' A' ' 38' ' ' THR . 81.3 mt -78.61 -20.88 49.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.647 -178.533 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.571 ' O ' HG12 ' A' ' 39' ' ' VAL . 72.7 mtp180 -76.35 -33.3 58.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.615 178.178 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.91 -31.16 25.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.568 -178.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.536 ' CG2' ' N ' ' A' ' 39' ' ' VAL . 3.5 t -70.83 -44.34 66.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.596 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.571 HG12 ' O ' ' A' ' 36' ' ' ARG . 5.1 p -55.21 -36.67 40.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.698 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -74.96 -34.77 62.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.559 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -66.24 -47.99 72.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.556 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.8 t -61.67 -54.39 35.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.544 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.553 ' O ' ' N ' ' A' ' 47' ' ' GLY . 4.9 tmm_? -47.77 -40.96 22.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.552 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.33 -37.67 81.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.581 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -76.53 -49.22 17.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.577 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.589 ' O ' ' N ' ' A' ' 48' ' ' THR . 10.9 mt -79.0 -3.39 44.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.542 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.553 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.41 20.32 0.03 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.589 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.5 m -71.89 139.41 48.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.872 0.368 . . . . 1.0 110.534 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.522 ' OD2' ' NH1' ' A' ' 73' ' ' ARG . 80.2 m-20 -48.21 -47.89 35.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.517 . . . . 1.0 110.605 -177.634 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.403 ' H ' HG22 ' A' ' 48' ' ' THR . 19.7 mtp-105 -138.22 132.32 31.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.001 0.429 . . . . 1.0 110.974 -176.098 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 t -142.96 131.72 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.86 -0.609 . . . . 1.0 109.753 176.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.1 pttt -142.66 157.3 44.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.099 0.476 . . . . 1.0 111.207 -178.199 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.778 HG12 ' HB3' ' A' ' 66' ' ' ALA . 9.9 p -102.97 139.74 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.66 -0.7 . . . . 1.0 109.873 177.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -122.88 120.12 32.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 1.0 111.182 -177.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.461 ' HG3' ' H ' ' A' ' 56' ' ' PHE . 4.7 tpt180 -95.85 162.74 13.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.999 -0.546 . . . . 1.0 109.898 179.257 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.535 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 85.5 t80 -129.81 145.02 51.58 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.722 -0.391 . . . . 1.0 110.903 -178.383 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.535 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 24.8 m-20 -114.05 148.42 39.97 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.281 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.61 -23.87 76.92 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.685 2.257 . . . . 1.0 112.05 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -78.27 -4.93 50.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.36 -179.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 84' ' ' ALA . . . 93.33 21.52 29.44 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.766 -0.933 . . . . 1.0 110.766 179.425 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.404 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 90.7 m-70 -116.81 140.29 49.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.803 0.335 . . . . 1.0 110.715 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -132.8 154.88 21.33 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.572 -1.011 . . . . 1.0 110.572 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 76.4 p -139.1 158.26 44.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.745 0.307 . . . . 1.0 110.763 -178.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.1 t -101.57 117.04 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.181 176.318 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.6 m -106.88 1.89 10.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.817 -176.136 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.778 ' HB3' HG12 ' A' ' 53' ' ' VAL . . . -158.09 148.66 20.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.935 0.398 . . . . 1.0 110.895 -179.297 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -166.68 127.19 1.61 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.261 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -122.64 120.38 33.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 1.0 110.763 178.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.508 ' HA ' ' O ' ' A' ' 49' ' ' ASP . 42.9 ptt85 -112.04 143.09 43.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.495 -178.721 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -94.7 -78.94 1.43 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.867 -0.893 . . . . 1.0 110.867 179.037 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.44 -117.58 0.53 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.776 -0.93 . . . . 1.0 110.776 178.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -179.3 50.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.831 0.348 . . . . 1.0 110.593 178.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.522 ' NH1' ' OD2' ' A' ' 49' ' ' ASP . 3.1 ptp85 -85.75 -16.46 38.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.514 177.008 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.9 mt -138.4 149.29 62.52 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.512 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.81 173.16 8.51 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.758 2.305 . . . . 1.0 112.139 -178.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.3 t -94.59 135.69 35.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.753 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.1 mt -106.82 0.85 24.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.497 -179.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 68.9 tp -55.6 137.09 49.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.545 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.51 0.53 79.24 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.876 -0.89 . . . . 1.0 110.876 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.2 tp -90.5 130.57 36.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.768 0.318 . . . . 1.0 110.551 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 81' ' ' THR . 10.1 t -100.83 129.35 46.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.635 177.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -96.88 143.35 25.96 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.565 -178.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -80.96 145.51 15.7 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.757 2.305 . . . . 1.0 112.182 178.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 60' ' ' GLY . . . -55.7 -43.81 76.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.616 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.6 -24.31 7.55 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -52.72 -21.2 3.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 1.0 110.593 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.602 ' CD1' HH21 ' A' ' 92' ' ' ARG . 26.9 pt -135.39 144.6 50.24 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.472 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.52 -99.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.838 2.359 . . . . 1.0 112.162 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -166.1 -45.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.603 179.318 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -51.19 -38.28 51.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.568 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.93 -49.2 54.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.616 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.602 HH21 ' CD1' ' A' ' 87' ' ' ILE . 32.0 ttm180 -58.2 -31.56 67.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.58 -178.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -54.25 -44.86 72.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.467 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.654 ' O ' ' N ' ' A' ' 98' ' ' ALA . 8.8 mp -52.26 -37.9 56.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.503 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.571 ' CG ' ' HD2' ' A' ' 101' ' ' ARG . 13.0 m-85 -58.27 -21.1 47.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.713 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.573 ' C ' HD12 ' A' ' 97' ' ' LEU . 53.5 mtp85 -95.03 -33.99 12.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.726 -177.605 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.651 HD12 ' N ' ' A' ' 97' ' ' LEU . 9.0 mp -105.98 -37.71 6.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.197 -176.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.654 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -84.36 -35.05 23.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.448 -176.474 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.489 ' C ' ' O ' ' A' ' 98' ' ' ALA . 25.4 mt-30 33.68 58.0 0.55 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.444 ' H ' ' HE ' ' A' ' 101' ' ' ARG . 5.3 t -145.36 -50.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.809 178.22 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.814 ' H ' ' NE ' ' A' ' 101' ' ' ARG . 4.1 mmp_? 50.44 98.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.29 174.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.517 ' C ' HD12 ' A' ' 103' ' ' ILE . 69.9 t -153.42 124.29 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.597 177.384 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.613 HD12 ' N ' ' A' ' 103' ' ' ILE . 1.7 mp -101.2 132.21 47.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.729 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.609 HG12 ' H ' ' A' ' 105' ' ' ASP . 4.8 t -85.15 170.82 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.298 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.609 ' H ' HG12 ' A' ' 104' ' ' VAL . 0.6 OUTLIER -60.67 116.95 4.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.466 -178.755 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 149' ' ' ALA . 0.8 OUTLIER -52.05 -12.23 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.571 179.712 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.704 ' C ' ' H ' ' A' ' 109' ' ' GLN . 3.9 pt-20 -92.34 -28.2 17.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.263 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.5 ' O ' ' HB2' ' A' ' 109' ' ' GLN . . . -62.17 21.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.35 178.726 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.704 ' H ' ' C ' ' A' ' 107' ' ' GLU . 79.8 mt-30 74.28 48.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.683 178.025 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.6 t -87.49 119.87 28.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.374 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -155.29 110.37 3.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.458 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 39.3 t . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 115.993 -0.548 . . . . 1.0 110.22 179.476 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.871 0.367 . . . . 1.0 110.42 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.592 HH21 ' NH1' ' A' ' 101' ' ' ARG . 8.4 ttm180 -133.62 94.18 19.79 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.698 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -48.78 147.06 10.45 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.81 2.34 . . . . 1.0 111.94 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.682 HG11 ' CE1' ' A' ' 139' ' ' HIS . 21.2 m -98.89 152.03 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.486 -178.59 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 136' ' ' ASP . 0.3 OUTLIER -94.82 154.82 39.77 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.482 179.482 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -43.87 -32.13 4.15 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.839 2.359 . . . . 1.0 111.886 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.71 -30.9 63.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.348 178.506 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.682 ' CE1' HG11 ' A' ' 135' ' ' VAL . 5.6 t-80 -86.48 -34.59 20.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.274 177.401 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 79.1 t -48.26 -45.84 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.505 178.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.516 ' O ' ' N ' ' A' ' 145' ' ' SER . 84.4 t60 -68.17 -40.86 82.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.44 178.082 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -47.79 -59.42 3.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.486 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.492 HD13 ' CE1' ' A' ' 139' ' ' HIS . 0.5 OUTLIER -68.28 -49.96 56.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.441 -179.29 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -56.01 -40.81 73.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.491 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 141' ' ' HIS . 33.8 t -52.72 -29.51 27.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.509 178.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 46.6 mtt -87.77 -1.03 57.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.409 178.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 72.77 22.42 79.06 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.453 HG13 ' H ' ' A' ' 170' ' ' HIS . 23.8 t -105.49 113.64 42.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.777 0.322 . . . . 1.0 110.729 179.226 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 149' ' ' ALA . . . . . 0.434 ' O ' HG13 ' A' ' 106' ' ' VAL . . . -79.24 -26.86 42.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.275 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.469 ' O ' ' CE1' ' A' ' 170' ' ' HIS . 29.5 t -148.4 116.66 6.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.161 -179.379 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 12.1 t -108.25 133.31 52.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 1.0 111.053 178.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 36.3 tp -97.63 126.43 42.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.01 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -122.19 154.91 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.044 0.45 . . . . 1.0 111.158 -179.019 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.413 ' CG2' ' C ' ' A' ' 153' ' ' VAL . 0.9 OUTLIER -151.0 111.47 3.09 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.646 -0.706 . . . . 1.0 109.927 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -72.57 131.26 17.14 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.944 2.429 . . . . 1.0 112.688 -172.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 16.9 mt -103.5 94.63 5.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.16 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.464 ' SD ' ' OE1' ' A' ' 99' ' ' GLN . 16.2 ptm -116.06 136.31 53.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.767 -177.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 158' ' ' HIS . . . . . 0.498 ' CE1' ' CB ' ' A' ' 196' ' ' ALA . 31.1 t60 -115.85 122.25 44.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.424 176.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.452 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 16.0 t60 71.25 -110.8 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.353 -177.682 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -121.96 3.23 9.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.423 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.481 ' CG ' ' N ' ' A' ' 162' ' ' LEU . 47.9 tt0 -115.03 159.17 21.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.551 -177.096 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.481 ' N ' ' CG ' ' A' ' 161' ' ' GLU . 11.3 mt -104.79 127.57 52.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.492 178.553 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -106.67 -41.17 5.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.872 -177.163 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -146.15 -179.92 22.69 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.209 -0.756 . . . . 1.0 111.209 -177.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 35.3 tp -149.63 135.86 19.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.693 0.282 . . . . 1.0 110.45 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 33.1 tp -100.47 142.89 31.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.578 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 10.8 p -148.03 138.44 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.715 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.33 145.35 49.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.409 178.583 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -120.96 129.47 53.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.759 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 170' ' ' HIS . . . . . 0.469 ' CE1' ' O ' ' A' ' 150' ' ' SER . 20.3 p-80 -166.99 161.09 14.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.502 179.284 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -65.06 -154.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.609 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 172' ' ' GLU . . . . . 0.43 ' OE2' ' OE1' ' A' ' 107' ' ' GLU . 4.2 pt-20 -120.9 80.52 33.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.581 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.94 -59.2 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.845 2.363 . . . . 1.0 112.068 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -154.93 151.74 23.86 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.459 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -49.42 168.57 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.789 2.326 . . . . 1.0 112.064 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -111.12 122.21 47.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.562 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 26.2 t -70.3 138.12 51.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.589 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -66.24 -35.32 80.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.481 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.32 -55.25 22.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.476 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -64.61 -31.47 72.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.358 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 26.5 tp -59.02 -41.43 87.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.447 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -59.14 -48.69 80.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.356 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 55.7 t -43.66 -50.09 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.149 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 184' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 187' ' ' LEU . 96.2 t -72.98 -39.33 57.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.188 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -46.47 -38.95 9.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.068 178.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 27.2 tp -73.16 -34.23 65.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.027 178.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 187' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 184' ' ' VAL . 25.6 tp -56.1 -33.03 64.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.036 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -71.56 -35.17 70.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.106 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -59.14 -40.51 85.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.172 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -54.17 -56.33 19.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.208 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 92.5 t -55.58 -44.87 78.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.155 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 7.8 t -49.17 -33.98 13.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.153 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 69.1 mt -81.28 -36.31 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.157 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -64.72 -45.98 84.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.264 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 2.4 pp -68.1 -26.7 34.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.295 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 196' ' ' ALA . . . . . 0.498 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.12 -56.28 4.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.342 178.524 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -59.99 -25.34 65.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.356 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -74.15 -38.06 63.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.465 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -51.55 -37.23 48.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.387 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 41.4 mt -57.89 -57.55 12.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.476 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 84.1 p -50.51 -40.75 52.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.513 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 26.7 mt . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.988 -1.006 . . . . 1.0 110.618 179.68 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.796 0.331 . . . . 1.0 110.563 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.409 ' OD1' HG11 ' A' ' 65' ' ' VAL . 53.2 m-20 -55.71 -37.96 69.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.538 -179.449 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -74.13 -54.1 8.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.543 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.7 mm -53.05 -48.26 53.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.559 -178.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.3 mt -61.63 -28.0 69.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.616 -177.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.534 ' NH1' ' OE2' ' A' ' 40' ' ' GLU . 0.4 OUTLIER -55.31 -40.63 71.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.59 179.382 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.63 -29.51 51.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.639 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.4 p -66.66 -46.01 77.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.633 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.536 HG21 ' CB ' ' A' ' 66' ' ' ALA . 86.7 t -56.37 -38.89 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.698 178.774 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.534 ' OE2' ' NH1' ' A' ' 36' ' ' ARG . 98.1 mt-10 -75.38 -38.22 60.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.538 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.458 ' OE1' HD11 ' A' ' 187' ' ' LEU . 14.8 tm-20 -59.71 -48.24 82.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.508 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.468 ' CG1' HD12 ' A' ' 46' ' ' LEU . 78.9 t -63.2 -43.34 98.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.502 179.306 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 47' ' ' GLY . 54.4 ttp85 -47.85 -45.79 30.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.503 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.54 -40.76 95.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.567 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -72.61 -54.3 9.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.577 -178.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.592 ' O ' ' N ' ' A' ' 48' ' ' THR . 92.0 mt -78.75 0.85 25.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.58 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.34 20.44 0.03 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 178.042 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.592 ' N ' ' O ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -74.84 139.63 43.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 1.0 110.52 179.582 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 70' ' ' GLY . 89.7 m-20 -66.11 -29.96 70.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.678 -176.25 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.69 ' NE ' HH12 ' A' ' 69' ' ' ARG . 4.1 ttt180 -137.9 126.56 23.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.984 -175.401 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.499 ' CG1' HG21 ' A' ' 48' ' ' THR . 0.0 OUTLIER -148.89 132.15 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.858 -0.61 . . . . 1.0 109.784 175.89 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -144.14 153.12 41.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.929 0.395 . . . . 1.0 111.333 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.4 HG12 ' HB3' ' A' ' 66' ' ' ALA . 5.8 p -99.02 136.5 29.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.789 -0.641 . . . . 1.0 109.819 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.409 ' CZ ' ' HA3' ' A' ' 62' ' ' GLY . 19.5 t80 -118.48 118.88 32.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.892 0.377 . . . . 1.0 111.186 -178.705 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -94.45 162.35 13.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.0 -0.545 . . . . 1.0 109.941 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -130.41 144.85 51.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.936 0.398 . . . . 1.0 110.879 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.487 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 2.2 m-20 -115.86 136.25 22.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.248 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -46.05 -28.17 5.03 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.733 2.289 . . . . 1.0 112.103 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -74.9 -8.3 56.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.388 -178.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.25 21.13 23.43 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.817 -0.913 . . . . 1.0 110.817 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 57' ' ' ASP . 77.3 m80 -116.36 139.94 49.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.892 0.377 . . . . 1.0 110.697 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.409 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -130.92 152.05 19.81 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.589 -1.004 . . . . 1.0 110.589 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 81.8 p -136.24 156.56 48.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.766 0.317 . . . . 1.0 110.853 -178.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.6 t -100.72 115.22 41.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.282 176.164 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.409 HG11 ' OD1' ' A' ' 32' ' ' ASP . 29.9 m -104.38 2.46 10.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.787 -175.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.536 ' CB ' HG21 ' A' ' 39' ' ' VAL . . . -160.76 149.82 16.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.945 0.402 . . . . 1.0 110.884 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.41 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 88.9 tt0 -168.28 128.27 1.26 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.261 -179.555 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -126.16 128.82 47.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.848 178.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.774 ' NH2' ' H ' ' A' ' 74' ' ' LEU . 40.8 mtp85 -110.5 141.8 43.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.475 -179.211 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -91.66 -107.42 1.54 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -58.96 -11.07 9.96 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.741 -0.944 . . . . 1.0 110.741 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 69.35 63.33 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.353 . . . . 1.0 110.575 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.594 ' NH2' HG22 ' A' ' 148' ' ' VAL . 5.3 ptm180 -87.37 -53.91 4.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.55 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.774 ' H ' ' NH2' ' A' ' 69' ' ' ARG . 6.8 mt -96.81 169.6 8.54 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.479 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.547 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 2.6 Cg_exo -77.47 175.48 11.24 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.766 2.31 . . . . 1.0 112.1 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 55.8 p -90.51 133.31 35.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.68 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.5 mt -104.99 -9.4 17.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.433 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.41 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 16.2 tp -49.17 137.38 13.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.548 -178.075 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.77 -1.2 71.07 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.904 -0.878 . . . . 1.0 110.904 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 94.9 mt -99.09 133.57 43.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.772 0.32 . . . . 1.0 110.576 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.23 122.61 36.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.627 178.208 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -98.03 140.77 22.12 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.533 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.73 144.85 25.19 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 122.808 2.339 . . . . 1.0 112.185 178.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.05 -32.48 74.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.667 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.63 -21.6 3.44 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.964 -0.854 . . . . 1.0 110.964 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.02 -32.89 71.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.839 0.352 . . . . 1.0 110.602 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.501 ' O ' ' O ' ' A' ' 88' ' ' PRO . 1.8 pt -120.64 94.6 48.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.514 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.501 ' O ' ' O ' ' A' ' 87' ' ' ILE . 92.5 Cg_exo -40.49 -106.26 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.783 2.322 . . . . 1.0 112.237 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.445 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 87.6 tt0 -162.7 -51.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.561 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -47.8 -37.55 13.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.549 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.66 82.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.635 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.404 ' HE ' ' HA ' ' A' ' 89' ' ' GLU . 65.6 mtm180 -69.61 -24.8 63.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.534 -179.406 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 97' ' ' LEU . 90.4 mtt-85 -57.53 -54.85 42.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.547 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.594 ' O ' ' N ' ' A' ' 98' ' ' ALA . 17.2 mt -52.49 -37.53 57.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.491 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' A' ' 101' ' ' ARG . 6.2 m-85 -65.58 -34.3 77.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.717 178.575 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 66.8 mtm180 -89.82 -20.95 22.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.62 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 93' ' ' ARG . 9.4 mp -102.99 -50.33 3.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.249 -177.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.594 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -97.44 -12.98 22.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.411 -176.286 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.507 ' C ' ' O ' ' A' ' 98' ' ' ALA . 87.0 mt-30 32.75 61.02 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.319 178.374 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.618 HG23 ' N ' ' A' ' 101' ' ' ARG . 34.7 m -104.93 -48.95 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.836 176.047 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.635 HH21 HG23 ' A' ' 154' ' ' VAL . 0.0 OUTLIER 54.23 58.32 5.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.242 172.459 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.573 ' C ' HD12 ' A' ' 103' ' ' ILE . 27.0 t -148.85 125.27 2.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.552 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.717 HD12 ' N ' ' A' ' 103' ' ' ILE . 2.2 mp -107.34 132.97 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.712 177.668 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.458 HG22 ' H ' ' A' ' 104' ' ' VAL . 2.5 m -82.75 169.04 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.342 -178.206 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.422 ' C ' ' H ' ' A' ' 107' ' ' GLU . 9.0 m-20 -53.97 120.61 6.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.468 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 106' ' ' VAL . 10.1 p -51.93 -11.78 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.551 179.069 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.691 ' C ' ' H ' ' A' ' 109' ' ' GLN . 6.3 pt-20 -95.8 -26.34 15.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.366 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.466 ' O ' ' HB2' ' A' ' 109' ' ' GLN . . . -62.84 23.45 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.691 ' H ' ' C ' ' A' ' 107' ' ' GLU . 77.8 mt-30 73.02 49.61 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.73 177.606 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 38.7 m -86.48 117.38 25.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.386 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -155.86 120.14 4.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.787 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.603 ' OG ' ' N ' ' A' ' 136' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.192 178.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.772 0.32 . . . . 1.0 110.453 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.502 HH21 ' CB ' ' A' ' 98' ' ' ALA . 23.8 mmt180 -136.08 123.76 14.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.649 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -79.39 141.25 15.82 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.749 2.299 . . . . 1.0 112.013 177.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 2.2 t -123.54 132.25 71.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.549 -179.024 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.603 ' N ' ' OG ' ' A' ' 112' ' ' SER . 3.2 m-20 -42.95 158.74 0.22 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.442 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -50.38 -10.88 0.28 Allowed 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.868 2.378 . . . . 1.0 111.834 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.1 m -58.18 -47.9 81.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.361 178.115 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -32.46 67.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.267 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 76.6 t -53.79 -63.06 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.468 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 145' ' ' SER . 84.4 t60 -69.26 -48.84 60.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.381 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' TYR . . . . . 0.533 ' CZ ' ' CE ' ' A' ' 146' ' ' MET . 76.9 t80 -48.16 -53.6 16.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.502 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.7 tp -67.95 -50.0 58.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.41 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 147' ' ' GLY . 24.5 tptp -56.63 -41.38 77.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.424 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.485 ' OG ' ' O ' ' A' ' 142' ' ' TYR . 74.8 p -52.27 -26.4 11.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.502 179.018 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 146' ' ' MET . . . . . 0.533 ' CE ' ' CZ ' ' A' ' 142' ' ' TYR . 5.8 mtt -90.84 -0.65 57.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.422 177.528 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 147' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 144' ' ' LYS . . . 70.97 22.92 78.48 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.594 HG22 ' NH2' ' A' ' 73' ' ' ARG . 14.6 t -110.7 121.0 62.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.796 0.331 . . . . 1.0 110.67 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -93.66 -22.97 18.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.291 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.478 ' O ' HG12 ' A' ' 148' ' ' VAL . 47.4 t -106.86 137.95 43.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.126 -179.087 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 2.4 p -141.86 105.0 4.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.938 0.399 . . . . 1.0 111.032 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 28.0 tp -103.88 119.91 39.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.933 -0.576 . . . . 1.0 109.996 177.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.458 ' CG2' ' N ' ' A' ' 154' ' ' VAL . 2.2 p -115.97 155.85 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.054 0.454 . . . . 1.0 111.247 -177.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.635 HG23 HH21 ' A' ' 101' ' ' ARG . 7.0 p -160.6 100.64 1.34 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.765 -0.652 . . . . 1.0 109.934 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -68.88 156.59 64.9 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.838 2.359 . . . . 1.0 112.736 -175.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 26.3 mt -118.15 95.72 5.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.233 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 21.2 ptm -115.13 138.82 50.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.744 -178.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 158' ' ' HIS . . . . . 0.423 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 71.3 t60 -113.33 124.38 52.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.389 177.674 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.411 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 80.2 t60 65.82 -106.79 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.412 -178.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 160' ' ' GLN . . . . . 0.614 ' O ' ' NE2' ' A' ' 160' ' ' GLN . 35.6 tp60 -120.95 -1.23 9.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.409 -178.516 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -113.14 156.66 22.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.611 -176.115 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 6.1 tt -107.47 125.52 51.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.448 178.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -100.32 -39.87 7.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.833 -177.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -149.05 -178.21 23.88 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.228 -0.749 . . . . 1.0 111.228 -177.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 5.1 tp -144.71 132.7 21.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.699 0.285 . . . . 1.0 110.475 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.585 ' HB3' HG13 ' A' ' 154' ' ' VAL . 18.7 tp -105.34 150.55 25.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.587 178.611 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 9.4 p -153.04 147.02 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.699 -178.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 168' ' ' SER . . . . . 0.507 ' O ' ' ND1' ' A' ' 169' ' ' HIS . 24.5 t -127.43 141.56 51.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.321 178.304 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 169' ' ' HIS . . . . . 0.507 ' ND1' ' O ' ' A' ' 168' ' ' SER . 11.7 m-70 -139.93 135.13 32.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.739 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 170' ' ' HIS . . . . . 0.575 ' HD1' ' CB ' ' A' ' 48' ' ' THR . 2.1 p-80 -170.87 167.16 7.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.457 -179.06 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.544 ' N ' ' NH1' ' A' ' 73' ' ' ARG . . . -53.91 -169.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.581 179.132 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -117.62 81.78 15.12 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.577 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -84.37 -56.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.836 2.358 . . . . 1.0 112.122 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -146.8 153.13 45.98 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.498 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -65.28 176.67 3.08 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.771 2.314 . . . . 1.0 112.069 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 176' ' ' TYR . . . . . 0.487 ' CD1' ' O ' ' A' ' 176' ' ' TYR . 30.1 p90 -117.66 134.7 54.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.663 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 57.8 m -85.74 144.39 27.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.534 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -66.72 -35.83 81.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.491 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -60.95 -48.98 79.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.509 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -70.11 -31.23 68.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.475 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 29.4 tp -56.45 -35.74 68.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.43 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -70.58 -50.42 37.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.364 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 62.0 t -43.8 -49.21 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.124 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 184' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 187' ' ' LEU . 5.8 p -73.78 -37.6 49.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.209 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -45.85 -37.63 6.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.134 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 61.7 mt -70.11 -36.21 74.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.088 177.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 187' ' ' LEU . . . . . 0.727 HD23 ' O ' ' A' ' 187' ' ' LEU . 1.4 tt -55.4 -33.37 63.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.038 -0.528 . . . . 1.0 109.999 178.413 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -74.41 -37.57 63.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.074 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -56.16 -38.97 71.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.148 178.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 190' ' ' GLN . . . . . 0.501 ' O ' HG22 ' A' ' 193' ' ' ILE . 94.5 mt-30 -54.71 -48.51 72.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.133 179.147 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 59.9 t -60.58 -45.35 97.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.144 178.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 16.5 m -49.95 -46.67 52.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.101 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 193' ' ' ILE . . . . . 0.501 HG22 ' O ' ' A' ' 190' ' ' GLN . 13.3 tt -77.79 -27.19 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.147 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -67.76 -45.54 74.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.233 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 17.7 pt -71.78 -20.92 20.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.276 179.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 196' ' ' ALA . . . . . 0.423 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -76.12 -56.37 4.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.282 178.143 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -61.49 -24.22 66.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.366 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -73.32 -38.18 65.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.471 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -53.22 -37.78 62.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.424 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 200' ' ' LEU . . . . . 0.556 ' C ' HD23 ' A' ' 200' ' ' LEU . 3.1 tt -59.53 -60.46 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.477 -179.626 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 18.8 m -57.1 -44.63 83.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.488 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.613 ' N ' HD12 ' A' ' 202' ' ' LEU . 10.0 mp . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 118.035 -0.983 . . . . 1.0 110.557 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.2 tp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.793 0.33 . . . . 1.0 110.624 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.421 ' OD1' HG11 ' A' ' 65' ' ' VAL . 73.3 m-20 -56.48 -36.45 69.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.611 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -73.25 -53.34 11.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.584 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.543 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.6 mp -50.91 -54.58 9.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.603 -178.545 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 73.4 mt -57.9 -31.66 66.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.615 -177.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -51.04 -39.93 57.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.573 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.25 -27.64 38.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.602 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.4 p -67.39 -43.76 80.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.688 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.568 HG21 ' CB ' ' A' ' 66' ' ' ALA . 57.9 t -58.94 -39.64 78.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.654 178.428 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.422 ' OE2' ' HB2' ' A' ' 68' ' ' ALA . 73.5 mm-40 -73.69 -45.45 52.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.582 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -58.15 -49.31 77.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.532 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.0 t -60.61 -45.45 97.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.428 179.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' A' ' 47' ' ' GLY . 41.2 ttp180 -48.32 -44.06 33.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.515 179.231 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.02 -41.01 95.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.541 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -71.85 -52.53 16.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.578 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.573 ' O ' ' N ' ' A' ' 48' ' ' THR . 66.0 mt -79.77 1.84 25.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.519 178.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.15 21.39 0.03 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.992 -0.843 . . . . 1.0 110.992 178.266 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.926 ' HG1' ' CE1' ' A' ' 170' ' ' HIS . 1.4 m -72.57 136.76 45.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.815 0.341 . . . . 1.0 110.615 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.535 ' O ' ' N ' ' A' ' 70' ' ' GLY . 4.3 p30 -69.26 -26.67 64.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.579 -177.337 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.568 ' NH2' ' OE2' ' A' ' 67' ' ' GLU . 26.1 ttt-85 -143.01 120.35 11.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.965 0.412 . . . . 1.0 111.003 -177.315 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.4 p -150.1 137.84 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.837 -0.62 . . . . 1.0 109.807 177.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -145.78 164.98 30.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.003 0.43 . . . . 1.0 111.235 -179.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.426 HG12 ' HB3' ' A' ' 66' ' ' ALA . 4.9 p -110.26 138.37 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.774 -0.648 . . . . 1.0 109.871 178.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.407 ' CZ ' ' HA3' ' A' ' 62' ' ' GLY . 12.8 t80 -120.8 119.68 33.4 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.802 -0.359 . . . . 1.0 111.218 -178.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -94.36 163.1 13.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.009 -0.541 . . . . 1.0 109.875 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.531 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 70.8 t80 -130.03 145.38 51.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.04 0.448 . . . . 1.0 110.817 -178.299 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.531 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 8.1 m-20 -114.51 147.59 38.41 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.309 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.92 -24.2 71.61 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.683 2.256 . . . . 1.0 112.037 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -77.94 -1.26 31.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.42 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.27 22.08 36.14 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.811 -0.916 . . . . 1.0 110.811 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.518 ' O ' ' N ' ' A' ' 57' ' ' ASP . 76.1 m80 -119.54 143.57 47.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.811 0.339 . . . . 1.0 110.739 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.407 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -134.91 156.32 22.45 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.612 -0.995 . . . . 1.0 110.612 178.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.419 HG23 HG22 ' A' ' 81' ' ' THR . 4.3 m -137.71 159.08 42.97 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.854 -0.339 . . . . 1.0 110.758 -178.031 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.7 t -98.44 111.29 27.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.135 175.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.421 HG11 ' OD1' ' A' ' 32' ' ' ASP . 28.4 m -99.43 1.96 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.825 -175.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.568 ' CB ' HG21 ' A' ' 39' ' ' VAL . . . -164.17 150.1 10.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.903 0.383 . . . . 1.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.568 ' OE2' ' NH2' ' A' ' 50' ' ' ARG . 42.1 tt0 -167.66 127.44 1.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.323 -179.31 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.422 ' HB2' ' OE2' ' A' ' 40' ' ' GLU . . . -123.38 136.28 54.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.839 179.198 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 49' ' ' ASP . 83.5 mtm180 -120.26 142.63 48.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.509 -179.7 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -94.77 -108.6 2.17 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.896 -0.882 . . . . 1.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -55.72 -5.55 0.91 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.841 -0.904 . . . . 1.0 110.841 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.482 ' H ' ' C ' ' A' ' 70' ' ' GLY . 68.2 tt0 64.94 58.04 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.75 0.31 . . . . 1.0 110.582 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.5 ' CZ ' ' OD2' ' A' ' 49' ' ' ASP . 16.5 ptp180 -86.02 -48.8 8.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.513 178.434 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.425 ' N ' ' CG ' ' A' ' 73' ' ' ARG . 11.9 mt -97.67 152.04 37.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.484 178.445 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -67.88 171.87 11.61 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.729 2.286 . . . . 1.0 112.111 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.4 p -88.2 128.1 35.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.669 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.9 mt -104.82 -11.52 16.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.475 -179.246 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.0 tp -41.05 136.52 1.49 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.519 -178.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.09 -1.79 78.04 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.847 -0.901 . . . . 1.0 110.847 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.408 HD23 ' CZ ' ' A' ' 82' ' ' PHE . 28.2 tp -93.88 127.75 39.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.762 0.315 . . . . 1.0 110.561 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.419 HG22 HG23 ' A' ' 63' ' ' THR . 24.6 p -91.23 120.78 32.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.594 179.316 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.408 ' CZ ' HD23 ' A' ' 80' ' ' LEU . 36.3 m-85 -94.37 139.09 22.3 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.526 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.26 136.95 18.49 Favored 'Trans proline' 0 C--N 1.304 -1.81 0 C-N-CA 122.921 2.414 . . . . 1.0 112.204 178.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.93 -34.34 65.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.613 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.76 -22.35 4.18 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.027 -0.829 . . . . 1.0 111.027 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -60.29 -32.54 71.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.819 0.342 . . . . 1.0 110.628 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.582 ' O ' ' O ' ' A' ' 88' ' ' PRO . 23.4 mm -108.9 103.8 52.98 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.536 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.582 ' O ' ' O ' ' A' ' 87' ' ' ILE . 89.3 Cg_exo -46.42 -121.91 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.78 2.32 . . . . 1.0 112.198 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.403 ' HG3' HH21 ' A' ' 92' ' ' ARG . 85.6 tt0 -158.96 -38.43 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.592 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -64.85 -38.02 89.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.583 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.5 ' O ' ' CD1' ' A' ' 95' ' ' PHE . . . -63.96 -34.46 78.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.526 -179.277 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.403 HH21 ' HG3' ' A' ' 89' ' ' GLU . 73.7 mtm180 -69.85 -23.42 63.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.556 -178.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 21.1 mtp-105 -55.59 -57.07 13.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.472 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.634 ' O ' ' N ' ' A' ' 98' ' ' ALA . 58.8 mt -56.48 -33.59 66.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.474 -179.506 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.669 ' CZ ' ' NH1' ' A' ' 101' ' ' ARG . 3.2 m-85 -63.56 -29.93 71.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.721 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.546 ' C ' HD12 ' A' ' 97' ' ' LEU . 94.6 mtm-85 -88.65 -23.23 23.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.72 -178.748 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.546 HD12 ' C ' ' A' ' 96' ' ' ARG . 9.9 mp -107.22 -43.27 4.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.22 -177.078 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.634 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -89.12 -31.89 17.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.45 -175.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 98' ' ' ALA . 94.2 mt-30 37.43 64.82 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.328 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.542 ' H ' ' NH2' ' A' ' 101' ' ' ARG . 2.0 m -120.97 -43.52 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.783 176.471 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.9 ' H ' ' CZ ' ' A' ' 101' ' ' ARG . 0.2 OUTLIER 57.48 66.69 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.309 173.951 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.582 ' C ' HD12 ' A' ' 103' ' ' ILE . 8.0 p -146.74 124.71 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.591 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.582 HD12 ' C ' ' A' ' 102' ' ' VAL . 1.7 mp -108.96 134.37 51.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.743 177.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.687 HG22 ' N ' ' A' ' 105' ' ' ASP . 12.6 p -80.41 169.59 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.313 -178.574 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.687 ' N ' HG22 ' A' ' 104' ' ' VAL . 3.5 m-20 -48.16 119.29 2.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.397 -178.438 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.89 -11.14 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.523 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.553 ' C ' ' H ' ' A' ' 109' ' ' GLN . 4.3 pt-20 -84.82 -29.5 25.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.349 179.637 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.462 ' O ' ' CG ' ' A' ' 109' ' ' GLN . . . -57.22 -0.73 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.387 178.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.553 ' H ' ' C ' ' A' ' 107' ' ' GLU . 15.6 pt20 39.98 50.52 2.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.68 179.061 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 135' ' ' VAL . 53.8 p -89.95 135.31 33.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.424 174.126 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 77.0 mtm180 -120.54 138.78 53.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.849 -175.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.17 176.57 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.787 0.327 . . . . 1.0 110.45 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.7 84.21 48.96 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.623 179.334 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -49.39 149.66 9.13 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 122.78 2.32 . . . . 1.0 111.978 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.997 HG23 HG12 ' A' ' 140' ' ' VAL . 15.8 m -100.91 153.68 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.532 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.92 ' O ' HG13 ' A' ' 140' ' ' VAL . 0.0 OUTLIER -94.81 158.24 35.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.47 -178.353 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.408 ' O ' HG22 ' A' ' 140' ' ' VAL . 50.1 Cg_exo -47.39 -26.97 6.5 Favored 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.788 2.325 . . . . 1.0 111.928 -178.433 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 139' ' ' HIS . 0.1 OUTLIER -76.97 -37.84 54.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.386 178.352 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.533 ' ND1' ' CG1' ' A' ' 135' ' ' VAL . 52.0 t-80 -84.34 -43.01 15.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.232 -177.475 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.997 HG12 HG23 ' A' ' 135' ' ' VAL . 3.1 m -47.34 -44.37 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.539 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.56 ' N ' HG23 ' A' ' 140' ' ' VAL . 83.5 t60 -64.79 -37.89 89.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.473 177.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -48.05 -54.38 13.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.457 178.208 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.439 ' HA ' HD23 ' A' ' 143' ' ' LEU . 86.4 mt -66.83 -51.15 59.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.355 179.527 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -57.25 -41.15 79.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.428 -179.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.7 t -54.36 -28.15 41.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.5 178.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 43.7 mtt -91.84 0.89 57.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.522 177.692 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 69.84 23.82 76.7 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.915 -0.874 . . . . 1.0 110.915 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.616 HG12 ' O ' ' A' ' 150' ' ' SER . 6.3 t -108.03 115.56 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 1.0 110.668 179.319 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -82.24 -30.74 30.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.228 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.616 ' O ' HG12 ' A' ' 148' ' ' VAL . 73.0 m -106.77 141.51 37.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.139 -178.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 151' ' ' SER . . . . . 0.4 ' OG ' HG21 ' A' ' 103' ' ' ILE . 8.7 p -140.5 121.01 14.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.914 0.388 . . . . 1.0 111.137 -179.284 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 64.8 tp -115.07 129.29 56.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.013 177.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.704 HG13 ' HB3' ' A' ' 101' ' ' ARG . 2.9 p -117.69 155.7 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.07 0.462 . . . . 1.0 111.204 -177.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 153' ' ' VAL . 49.8 t -159.17 111.14 1.55 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.701 -0.682 . . . . 1.0 109.965 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -83.94 152.72 12.86 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 122.923 2.415 . . . . 1.0 112.735 -179.31 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 41.0 mt -117.79 96.72 5.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.211 178.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 19.5 ptm -119.64 137.36 53.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.762 -178.176 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 158' ' ' HIS . . . . . 0.487 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 71.8 t60 -119.82 123.88 44.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.053 -0.522 . . . . 1.0 110.456 177.337 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.486 ' CB ' ' O ' ' A' ' 158' ' ' HIS . 23.7 t-80 79.01 -114.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.373 -178.248 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -121.01 4.18 10.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.44 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -117.77 162.0 18.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.588 -177.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.598 HD12 ' N ' ' A' ' 162' ' ' LEU . 6.9 mp -105.34 124.02 48.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.463 177.507 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -100.22 -39.85 7.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.871 -177.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -148.48 -177.66 22.93 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.203 -0.759 . . . . 1.0 111.203 -178.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 3.6 tp -145.16 130.27 18.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.788 0.328 . . . . 1.0 110.456 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.527 ' HB3' ' O ' ' A' ' 154' ' ' VAL . 12.4 tp -105.93 140.73 38.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.606 177.406 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 167' ' ' VAL . . . . . 0.512 ' CG1' ' NE2' ' A' ' 169' ' ' HIS . 37.2 t -148.13 137.27 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.696 -176.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 1.1 p -123.85 142.22 51.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.428 178.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 169' ' ' HIS . . . . . 0.512 ' NE2' ' CG1' ' A' ' 167' ' ' VAL . 88.1 m-70 -139.51 142.73 37.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.766 -179.381 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 170' ' ' HIS . . . . . 0.926 ' CE1' ' HG1' ' A' ' 48' ' ' THR . 1.2 p-80 -172.67 168.59 5.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.474 -179.088 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -53.51 -174.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.61 178.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 55.2 tt0 -117.63 82.42 15.97 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.578 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -85.31 -35.24 0.16 Allowed 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.842 2.361 . . . . 1.0 112.098 179.163 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -160.64 154.0 18.48 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.456 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.73 179.56 2.59 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.764 2.309 . . . . 1.0 112.059 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -101.51 125.0 48.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.658 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 59.9 p -85.35 147.8 26.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.613 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -66.95 -35.53 80.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.457 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.3 -46.51 90.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.474 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -74.25 -31.99 62.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.432 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 20.1 tp -50.83 -52.67 39.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.397 -179.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -60.97 -51.89 67.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.273 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 93.9 t -43.11 -47.85 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.186 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 90.9 t -75.12 -35.67 35.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.147 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -50.4 -42.06 53.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.1 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 26.1 tp -73.22 -33.95 65.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.075 178.348 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 11.5 tp -57.14 -30.74 64.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.148 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -72.29 -39.17 68.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.082 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -58.2 -39.33 78.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.183 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -54.24 -56.64 16.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.181 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 95.2 t -56.33 -42.8 75.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.126 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 4.5 m -49.52 -33.6 15.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.098 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 70.0 mt -81.24 -33.97 13.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.062 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -69.21 -46.23 67.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.277 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 19.4 tt -64.18 -33.66 63.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.238 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 196' ' ' ALA . . . . . 0.487 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -75.75 -55.36 5.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.356 179.074 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -56.07 -25.99 47.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.431 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -75.63 -34.85 60.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.51 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -54.19 -39.67 66.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.42 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 200' ' ' LEU . . . . . 0.637 ' N ' HD12 ' A' ' 200' ' ' LEU . 9.4 mp -56.68 -62.52 1.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.548 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 22.7 m -61.73 -46.29 90.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.434 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 16.2 tp . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.979 -1.01 . . . . 1.0 110.526 179.857 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.2 tp . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.808 0.337 . . . . 1.0 110.589 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 65' ' ' VAL . 51.3 t0 -64.99 -33.49 76.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.604 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -77.07 -54.84 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.55 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.732 HD13 ' O ' ' A' ' 34' ' ' ILE . 0.3 OUTLIER -56.32 -35.67 43.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.519 -178.15 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.436 ' N ' ' CG2' ' A' ' 34' ' ' ILE . 84.7 mt -73.01 -27.58 61.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.637 -179.464 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.414 ' O ' HG12 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -58.51 -34.38 70.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.602 179.296 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.46 -23.27 34.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.626 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 34' ' ' ILE . 72.9 p -75.97 -47.21 25.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.672 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.515 HG13 ' N ' ' A' ' 40' ' ' GLU . 7.8 p -58.3 -42.13 82.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.691 -178.607 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.515 ' N ' HG13 ' A' ' 39' ' ' VAL . 23.6 pt-20 -75.86 -38.87 57.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.573 -178.618 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.4 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 41.0 mm-40 -63.8 -42.34 97.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.511 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.54 -51.61 61.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.49 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.572 ' O ' ' N ' ' A' ' 47' ' ' GLY . 34.5 ttp180 -47.32 -40.44 17.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.536 179.3 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.16 -37.6 80.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.575 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -78.74 -50.48 11.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.529 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.565 HD21 HG11 ' A' ' 184' ' ' VAL . 57.7 mt -77.89 -5.29 50.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.542 179.099 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.572 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 42.55 19.13 0.05 OUTLIER Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 178.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.639 ' HG1' ' CE1' ' A' ' 170' ' ' HIS . 1.7 m -71.78 137.17 47.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.814 0.34 . . . . 1.0 110.559 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' A' ' 70' ' ' GLY . 87.7 m-20 -53.54 -42.94 67.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.597 -177.709 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.623 HH12 HD11 ' A' ' 77' ' ' LEU . 21.8 ttm180 -136.2 126.44 26.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.018 -175.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.4 t -142.2 129.85 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.902 -0.59 . . . . 1.0 109.893 175.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.0 pttt -144.13 154.42 43.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.128 0.49 . . . . 1.0 111.25 -177.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 56.3 t -101.08 137.54 28.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.721 -0.672 . . . . 1.0 109.886 178.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.435 ' CZ ' ' HA3' ' A' ' 62' ' ' GLY . 14.0 t80 -122.84 119.88 31.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.927 0.394 . . . . 1.0 111.268 -179.121 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.483 ' CG ' ' N ' ' A' ' 56' ' ' PHE . 50.2 ttm-85 -94.33 164.8 12.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.012 -0.54 . . . . 1.0 109.903 -179.404 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.483 ' N ' ' CG ' ' A' ' 55' ' ' ARG . 82.3 t80 -129.67 145.93 51.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.001 0.429 . . . . 1.0 110.879 -178.299 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 21.7 t70 -117.41 134.05 23.16 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.336 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -44.15 -29.3 2.76 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.711 2.274 . . . . 1.0 112.049 179.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -73.76 -8.22 55.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.451 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.19 18.5 31.13 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.86 -0.896 . . . . 1.0 110.86 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.474 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 96.2 m-70 -116.12 140.96 48.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.843 0.354 . . . . 1.0 110.733 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.435 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -135.22 157.93 23.36 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.567 -1.013 . . . . 1.0 110.567 179.168 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.51 HG22 HG22 ' A' ' 81' ' ' THR . 81.0 p -139.38 159.3 42.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 1.0 110.739 -178.467 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.9 t -98.55 114.61 36.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.205 176.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.411 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 12.1 m -101.24 2.79 10.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.829 -177.337 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.413 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -161.46 148.81 14.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.378 . . . . 1.0 110.904 -179.414 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.522 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 88.7 tt0 -165.88 125.27 1.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.312 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -121.32 130.74 53.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.799 178.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.514 ' O ' ' NH1' ' A' ' 43' ' ' ARG . 67.8 mtm180 -111.66 140.24 46.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.51 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -91.15 -111.43 1.65 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 72' ' ' GLU . . . -57.04 -18.64 27.66 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.783 -0.927 . . . . 1.0 110.783 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.477 ' CB ' ' O ' ' A' ' 71' ' ' GLY . 41.6 tt0 79.27 60.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.77 0.319 . . . . 1.0 110.602 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.437 ' HG3' ' H ' ' A' ' 74' ' ' LEU . 6.6 ptm180 -87.09 -49.76 7.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.487 178.59 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.437 ' H ' ' HG3' ' A' ' 73' ' ' ARG . 17.9 mt -99.24 166.54 12.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.506 178.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.546 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 4.7 Cg_exo -78.64 174.26 12.55 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.782 2.321 . . . . 1.0 112.066 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 34.5 t -90.19 132.27 35.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.724 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.623 HD11 HH12 ' A' ' 50' ' ' ARG . 37.2 mt -106.42 -11.57 15.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.504 -178.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.522 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 21.3 tp -40.24 135.37 1.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.558 -178.307 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.57 -0.25 67.71 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.901 -0.88 . . . . 1.0 110.901 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.755 HD23 ' N ' ' A' ' 81' ' ' THR . 3.6 tt -94.03 126.27 39.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 1.0 110.516 -179.48 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.755 ' N ' HD23 ' A' ' 80' ' ' LEU . 2.0 p -95.33 129.48 42.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.547 178.339 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.43 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 23.4 m-85 -104.27 147.71 34.79 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.556 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -79.65 145.37 18.23 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.902 2.401 . . . . 1.0 112.219 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.38 -34.21 66.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.65 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.28 -25.3 18.6 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.997 -0.841 . . . . 1.0 110.997 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -57.24 -30.23 64.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.35 . . . . 1.0 110.574 -179.328 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.565 ' O ' ' O ' ' A' ' 88' ' ' PRO . 38.5 mm -113.47 98.76 47.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.582 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.565 ' O ' ' O ' ' A' ' 87' ' ' ILE . 74.8 Cg_exo -48.81 -127.11 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.858 2.372 . . . . 1.0 112.189 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -148.83 -64.36 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.568 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -46.13 -39.72 9.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.574 -178.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.21 -49.15 53.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.535 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -60.88 -27.15 67.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.559 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 96' ' ' ARG . 61.7 mtp85 -61.94 -47.29 85.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.473 -178.507 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.541 ' O ' ' N ' ' A' ' 98' ' ' ALA . 16.6 mt -48.39 -45.4 35.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.538 -179.183 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -63.61 -25.02 68.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.79 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 93' ' ' ARG . 48.4 mtp85 -87.85 -22.48 24.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.716 179.27 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.0 mt -103.37 -47.6 4.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.2 -178.143 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -98.95 -15.19 19.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.433 -175.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.489 ' C ' ' O ' ' A' ' 98' ' ' ALA . 87.0 mt-30 34.57 63.23 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.384 178.573 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 12.7 t -96.09 -47.09 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.828 177.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 61.1 50.27 5.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.289 173.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.602 ' C ' HD12 ' A' ' 103' ' ' ILE . 71.5 t -152.52 127.16 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.614 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.688 HD12 ' N ' ' A' ' 103' ' ' ILE . 1.9 mp -107.41 136.85 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.694 177.635 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.651 HG12 ' N ' ' A' ' 105' ' ' ASP . 54.9 t -81.88 167.8 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.35 -178.19 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.651 ' N ' HG12 ' A' ' 104' ' ' VAL . 44.2 m-20 -52.57 121.3 6.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.399 -178.55 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.8 m -58.79 -10.04 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.565 178.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -78.8 -34.87 45.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.283 -179.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.37 -10.89 1.53 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.34 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 48.4 59.98 3.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.691 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.541 ' O ' ' O ' ' A' ' 135' ' ' VAL . 2.5 t -86.35 142.4 28.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.359 175.392 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -121.77 125.6 46.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.797 -178.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.459 ' O ' ' CG ' ' A' ' 136' ' ' ASP . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.233 178.662 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.804 0.335 . . . . 1.0 110.393 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.589 ' CA ' ' HE ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -113.2 103.34 55.57 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.663 179.758 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -76.91 142.59 22.42 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.762 2.308 . . . . 1.0 112.02 -178.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.541 ' O ' ' O ' ' A' ' 110' ' ' SER . 16.2 m -100.92 159.43 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.565 -179.018 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.618 ' OD1' ' N ' ' A' ' 136' ' ' ASP . 0.0 OUTLIER -92.27 152.58 42.59 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.472 -179.326 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.556 ' O ' ' CD2' ' A' ' 141' ' ' HIS . 3.4 Cg_endo -45.34 -34.88 10.86 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.859 2.373 . . . . 1.0 111.933 -178.278 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' CYS . . . . . 0.573 ' SG ' ' N ' ' A' ' 139' ' ' HIS . 0.1 OUTLIER -66.12 -44.0 85.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.458 177.941 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.606 ' CE1' HD13 ' A' ' 143' ' ' LEU . 38.3 t-80 -76.13 -32.5 59.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.316 178.722 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 52.6 t -51.59 -53.85 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.42 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.556 ' CD2' ' O ' ' A' ' 137' ' ' PRO . 11.1 m-70 -62.1 -41.92 98.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.465 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -44.41 -48.02 9.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.38 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.606 HD13 ' CE1' ' A' ' 139' ' ' HIS . 7.9 mp -70.11 -49.81 47.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.313 178.586 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -55.34 -41.46 72.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.414 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 21.8 m -53.91 -27.1 28.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.49 179.104 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 55.4 mtt -90.09 0.77 56.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.476 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 68.45 24.88 75.06 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.936 -0.866 . . . . 1.0 110.936 178.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.574 HG22 ' O ' ' A' ' 150' ' ' SER . 3.7 p -109.69 124.54 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 1.0 110.699 178.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -86.62 -33.15 20.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.287 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.574 ' O ' HG22 ' A' ' 148' ' ' VAL . 67.1 m -112.27 152.88 27.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.098 -178.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.9 m -150.58 116.23 5.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.013 0.435 . . . . 1.0 111.06 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 47.1 tp -104.13 133.45 49.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.933 -0.576 . . . . 1.0 109.927 178.256 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.427 ' C ' ' CG2' ' A' ' 154' ' ' VAL . 9.8 p -128.65 151.97 36.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.055 0.455 . . . . 1.0 111.175 -178.519 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.427 ' CG2' ' C ' ' A' ' 153' ' ' VAL . 1.3 t -151.75 78.34 6.82 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 115.655 -0.702 . . . . 1.0 109.977 -179.095 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -51.82 152.62 13.08 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.862 2.374 . . . . 1.0 112.728 -176.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 28.2 mt -112.54 97.45 6.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.2 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 43.8 mtp -106.93 124.3 49.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.708 -178.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 158' ' ' HIS . . . . . 0.458 ' CD2' ' HB2' ' A' ' 196' ' ' ALA . 26.1 t-80 -110.99 123.8 50.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.383 176.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.449 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 30.6 t-80 69.56 -113.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.357 -177.525 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 160' ' ' GLN . . . . . 0.421 ' N ' ' CG ' ' A' ' 159' ' ' HIS . 16.9 tt0 -120.82 4.65 10.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.441 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -117.63 167.93 10.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.598 -177.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 5.8 tt -104.3 121.54 43.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.451 178.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 163' ' ' TRP . . . . . 0.445 ' CD1' ' N ' ' A' ' 163' ' ' TRP . 25.7 m95 -104.72 -40.89 5.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.867 -176.562 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -139.64 172.42 23.33 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.28 -0.728 . . . . 1.0 111.28 -178.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 5.6 tp -144.26 128.37 17.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.714 0.293 . . . . 1.0 110.477 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.404 ' O ' HG23 ' A' ' 153' ' ' VAL . 11.7 tp -104.48 135.67 45.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.636 178.774 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 38.3 t -139.58 138.35 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.732 -178.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 168' ' ' SER . . . . . 0.65 ' C ' ' HD1' ' A' ' 169' ' ' HIS . 0.1 OUTLIER -126.69 136.12 52.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.433 178.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 169' ' ' HIS . . . . . 0.65 ' HD1' ' C ' ' A' ' 168' ' ' SER . 0.7 OUTLIER -134.53 138.55 44.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.951 0.405 . . . . 1.0 110.703 -179.681 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 170' ' ' HIS . . . . . 0.639 ' CE1' ' HG1' ' A' ' 48' ' ' THR . 1.3 p-80 -170.85 167.41 7.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.492 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.429 ' N ' ' NH1' ' A' ' 73' ' ' ARG . . . -56.39 -170.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.644 178.581 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -118.43 80.93 16.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.621 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -84.79 -54.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.859 2.373 . . . . 1.0 112.092 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -146.94 152.85 44.94 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.563 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.42 174.8 5.74 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.769 2.313 . . . . 1.0 112.101 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 176' ' ' TYR . . . . . 0.437 ' CD1' ' O ' ' A' ' 176' ' ' TYR . 20.1 p90 -116.82 139.01 51.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.613 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 73.8 p -92.32 147.78 22.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.546 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -66.5 -34.98 79.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.425 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -59.78 -50.23 74.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.401 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -69.44 -31.3 69.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.42 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 30.0 tp -56.77 -36.7 70.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.447 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -68.07 -50.89 52.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.291 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 55.8 t -43.45 -50.89 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.202 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 184' ' ' VAL . . . . . 0.565 HG11 HD21 ' A' ' 46' ' ' LEU . 29.2 m -73.98 -35.41 42.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.174 -179.088 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -46.61 -32.95 3.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.075 177.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 26.4 tp -74.72 -41.64 59.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.062 178.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 4.1 mt -53.42 -33.17 52.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.018 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -76.73 -40.66 47.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.074 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -57.62 -39.23 76.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.2 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -53.59 -51.81 61.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.101 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 95.2 t -53.67 -42.31 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.085 179.241 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 2.8 m -49.61 -36.18 23.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.046 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 193' ' ' ILE . . . . . 0.48 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.6 mp -81.02 -32.87 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.147 179.285 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -69.15 -47.28 65.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.236 -178.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 2.2 pp -66.38 -32.55 58.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.247 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 196' ' ' ALA . . . . . 0.458 ' HB2' ' CD2' ' A' ' 158' ' ' HIS . . . -74.61 -55.55 5.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.379 178.704 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -58.81 -25.54 63.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.306 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -74.59 -37.04 62.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.485 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -52.17 -37.73 55.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.484 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 200' ' ' LEU . . . . . 0.621 ' N ' HD12 ' A' ' 200' ' ' LEU . 9.7 mp -59.78 -57.14 14.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.56 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 23.0 t -50.93 -41.85 59.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.488 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 20.4 mt . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.003 -0.998 . . . . 1.0 110.563 179.845 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.9 tp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.803 0.335 . . . . 1.0 110.528 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.8 p-10 -56.54 -31.96 64.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.619 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -77.57 -47.5 19.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.594 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.584 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.4 mp -63.06 -32.76 57.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.608 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.423 ' O ' HG22 ' A' ' 38' ' ' THR . 95.9 mt -79.22 -21.16 46.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.561 -179.215 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.507 ' O ' HG12 ' A' ' 39' ' ' VAL . 20.6 ttm180 -75.13 -34.05 61.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.543 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.35 -29.85 25.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.677 -178.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.533 ' CG2' ' N ' ' A' ' 39' ' ' VAL . 2.6 t -74.4 -42.76 58.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.607 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.533 ' N ' ' CG2' ' A' ' 38' ' ' THR . 6.3 p -56.3 -39.89 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.642 -179.579 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.468 ' N ' HG13 ' A' ' 39' ' ' VAL . 23.0 pt-20 -77.94 -33.28 51.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.551 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.42 -44.45 95.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.503 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.76 -44.52 96.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.453 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.564 ' O ' ' N ' ' A' ' 47' ' ' GLY . 55.3 ttp85 -47.83 -45.14 29.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.565 179.609 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.05 -38.12 81.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.519 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -76.41 -52.57 9.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.469 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.572 ' O ' ' N ' ' A' ' 48' ' ' THR . 10.9 mp -78.93 -4.37 49.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.541 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 41.05 19.76 0.03 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 178.425 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.572 ' N ' ' O ' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -73.69 140.92 46.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.765 0.317 . . . . 1.0 110.644 179.617 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.444 ' O ' ' HA ' ' A' ' 69' ' ' ARG . 96.1 m-20 -48.28 -45.56 34.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.564 -176.326 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -142.59 140.1 31.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.998 0.428 . . . . 1.0 111.011 -175.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.45 HG13 HG21 ' A' ' 48' ' ' THR . 0.0 OUTLIER -146.1 135.28 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.891 -0.595 . . . . 1.0 109.843 175.756 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -142.78 155.45 44.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.97 0.414 . . . . 1.0 111.289 -179.065 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.734 HG12 ' HB3' ' A' ' 66' ' ' ALA . 9.6 p -103.55 137.45 31.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.747 -0.661 . . . . 1.0 109.843 178.334 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -120.01 118.96 32.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.939 0.4 . . . . 1.0 111.231 -178.324 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -94.47 165.33 12.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.008 -0.542 . . . . 1.0 109.929 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.518 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 77.3 t80 -130.21 145.14 51.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.95 0.405 . . . . 1.0 110.835 -178.485 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.518 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 1.2 m-20 -115.12 148.12 39.93 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.238 179.265 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.01 -21.89 60.86 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.713 2.276 . . . . 1.0 112.036 -178.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' A' ' 59' ' ' GLU . 58.4 mp0 -79.81 -5.99 56.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.49 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 100.08 -12.12 60.48 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.784 -0.926 . . . . 1.0 110.784 178.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -84.2 141.95 30.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.879 0.371 . . . . 1.0 110.758 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -131.2 151.74 19.78 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.59 -1.004 . . . . 1.0 110.59 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.41 HG22 HG22 ' A' ' 81' ' ' THR . 77.9 p -136.46 156.73 48.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 1.0 110.778 -177.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.4 t -101.31 118.75 48.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.256 175.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.6 m -105.18 2.39 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.858 -175.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.734 ' HB3' HG12 ' A' ' 53' ' ' VAL . . . -157.14 147.47 21.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.91 0.386 . . . . 1.0 110.927 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.493 ' CD ' ' H ' ' A' ' 77' ' ' LEU . 55.3 tt0 -166.47 124.09 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.235 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.479 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -129.74 147.7 51.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.794 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.444 ' HA ' ' O ' ' A' ' 49' ' ' ASP . 5.1 ptp85 -145.09 149.98 36.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.493 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.45 ' C ' ' H ' ' A' ' 72' ' ' GLU . . . -101.88 -99.98 2.46 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.831 -0.908 . . . . 1.0 110.831 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -50.89 -10.58 0.44 Allowed Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.45 ' H ' ' C ' ' A' ' 70' ' ' GLY . 70.0 tt0 62.8 57.18 1.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 1.0 110.625 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 48.0 ttm-85 -80.78 -56.81 3.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.526 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 27.9 mt -89.87 164.5 28.35 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.486 178.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -81.11 171.97 13.42 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.763 2.309 . . . . 1.0 112.018 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 51.9 p -90.88 133.42 35.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.658 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.493 ' H ' ' CD ' ' A' ' 67' ' ' GLU . 28.1 mt -109.71 -9.98 14.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.453 -179.239 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.5 tp -42.05 136.5 2.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.572 -177.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.35 -2.68 78.56 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.861 -0.896 . . . . 1.0 110.861 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.3 tp -91.04 127.94 36.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 1.0 110.578 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.41 HG22 HG22 ' A' ' 63' ' ' THR . 3.0 p -98.95 128.36 45.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.611 178.427 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 13.8 m-85 -96.65 140.37 22.12 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.539 -179.183 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.37 144.0 22.59 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.795 2.33 . . . . 1.0 112.194 178.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.22 -41.45 75.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.619 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.0 -25.27 7.32 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.026 -0.829 . . . . 1.0 111.026 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -56.81 -30.73 64.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.832 0.349 . . . . 1.0 110.562 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.588 ' O ' ' O ' ' A' ' 88' ' ' PRO . 9.2 mt -120.07 97.2 49.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.465 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.588 ' O ' ' O ' ' A' ' 87' ' ' ILE . 86.6 Cg_exo -43.14 -116.33 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.82 2.346 . . . . 1.0 112.18 -179.348 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.417 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 13.7 tm-20 -158.1 -41.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.521 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 91' ' ' ALA . 21.3 pt-20 -64.92 -43.43 92.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.568 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.455 ' N ' ' CG ' ' A' ' 90' ' ' GLU . . . -60.4 -32.36 71.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.595 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -69.1 -22.46 63.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.652 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 97' ' ' LEU . 18.8 mmm180 -55.43 -58.12 9.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.514 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.684 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 48.5 mt -54.08 -36.98 63.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.505 179.252 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -68.38 -29.41 68.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.736 178.111 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.476 ' HE ' ' HA ' ' A' ' 96' ' ' ARG . 0.3 OUTLIER -89.56 -26.17 20.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.613 179.464 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 93' ' ' ARG . 10.8 mp -103.1 -41.63 6.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.262 -178.636 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.684 ' HB3' ' O ' ' A' ' 94' ' ' LEU . . . -90.87 -24.06 20.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.52 -178.51 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.48 ' C ' ' O ' ' A' ' 98' ' ' ALA . 94.9 mt-30 34.23 63.48 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.305 179.078 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.573 HG23 ' N ' ' A' ' 101' ' ' ARG . 23.2 m -111.03 -45.46 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.793 177.541 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.616 ' C ' HG13 ' A' ' 153' ' ' VAL . 6.7 mpt_? 52.94 61.59 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.288 176.535 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.587 ' C ' HD12 ' A' ' 103' ' ' ILE . 39.7 t -149.26 127.38 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.613 179.221 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.641 HD12 ' N ' ' A' ' 103' ' ' ILE . 1.8 mp -106.68 129.55 60.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.752 178.407 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.554 HG12 ' H ' ' A' ' 105' ' ' ASP . 4.7 t -84.31 168.93 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.32 -178.777 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.554 ' H ' HG12 ' A' ' 104' ' ' VAL . 28.9 t0 -58.39 119.3 6.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.452 -178.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 106' ' ' VAL . 11.3 p -51.92 -10.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.567 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.691 ' C ' ' H ' ' A' ' 109' ' ' GLN . 0.8 OUTLIER -93.35 -27.56 16.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.332 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 109' ' ' GLN . . . -63.16 23.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.312 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.691 ' H ' ' C ' ' A' ' 107' ' ' GLU . 78.1 mt-30 73.03 49.88 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.7 177.654 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 11.5 t -86.36 115.99 24.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.439 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 54.3 mtp85 -152.72 106.77 3.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.811 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.142 179.457 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.746 0.308 . . . . 1.0 110.419 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.517 ' CZ ' ' O ' ' A' ' 134' ' ' PRO . 0.0 OUTLIER -120.97 86.56 42.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.589 -179.611 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 134' ' ' PRO . . . . . 0.517 ' O ' ' CZ ' ' A' ' 133' ' ' ARG . 32.2 Cg_exo -56.43 142.84 88.72 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.763 2.309 . . . . 1.0 111.98 178.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.543 HG23 ' NE2' ' A' ' 139' ' ' HIS . 0.0 OUTLIER -125.69 133.54 68.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.506 -179.42 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 138' ' ' CYS . 33.5 m-20 -45.31 155.16 0.45 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.441 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -48.14 -11.27 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.799 2.333 . . . . 1.0 111.939 178.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 136' ' ' ASP . 0.0 OUTLIER -59.08 -41.95 89.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.374 178.912 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.543 ' NE2' HG23 ' A' ' 135' ' ' VAL . 0.2 OUTLIER -81.58 -28.81 33.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.292 -179.177 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.411 ' N ' ' CD2' ' A' ' 139' ' ' HIS . 22.5 t -48.72 -64.68 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.533 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.564 ' O ' ' N ' ' A' ' 145' ' ' SER . 83.2 t60 -61.18 -40.79 95.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.409 177.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' TYR . . . . . 0.411 ' CE2' ' CE ' ' A' ' 146' ' ' MET . 7.7 t80 -51.59 -60.89 2.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.405 178.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.9 mp -61.45 -53.65 53.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.369 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 147' ' ' GLY . 2.8 tmtt? -55.87 -40.83 73.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.47 179.518 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.564 ' N ' ' O ' ' A' ' 141' ' ' HIS . 14.5 t -54.53 -31.92 57.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.473 179.366 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 146' ' ' MET . . . . . 0.411 ' CE ' ' CE2' ' A' ' 142' ' ' TYR . 6.0 mtt -85.3 -4.63 59.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.443 176.703 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 147' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 144' ' ' LYS . . . 76.59 26.64 62.7 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 170' ' ' HIS . 16.8 t -108.55 110.82 33.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.797 0.332 . . . . 1.0 110.695 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -72.57 -30.93 64.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.26 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.503 ' CB ' ' OE1' ' A' ' 172' ' ' GLU . 28.3 m -144.47 121.38 11.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.141 -179.116 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 13.9 p -115.3 130.67 56.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.976 0.417 . . . . 1.0 111.072 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 29.3 tp -100.26 115.63 30.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.978 -0.555 . . . . 1.0 109.919 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.616 HG13 ' C ' ' A' ' 101' ' ' ARG . 2.5 p -106.27 157.29 6.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.055 0.455 . . . . 1.0 111.265 -179.187 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.478 ' N ' HG22 ' A' ' 153' ' ' VAL . 93.7 t -153.64 126.58 4.1 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 115.762 -0.654 . . . . 1.0 109.986 -178.159 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -89.36 151.19 5.45 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.931 2.421 . . . . 1.0 112.649 -174.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 24.3 mt -117.15 96.52 5.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.248 176.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 49.8 mtp -105.57 127.41 53.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.776 -176.342 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 158' ' ' HIS . . . . . 0.586 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 16.6 t-80 -120.75 121.92 39.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.361 175.56 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.503 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 22.3 t-80 78.26 -119.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.4 -176.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -121.1 3.56 10.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.402 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -119.33 167.68 11.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.565 -178.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 14.1 tp -101.96 121.52 42.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.492 178.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 163' ' ' TRP . . . . . 0.511 ' CD1' ' N ' ' A' ' 163' ' ' TRP . 19.5 m95 -103.04 -42.78 5.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.826 -177.256 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -140.45 176.13 21.59 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.226 -0.75 . . . . 1.0 111.226 -178.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 3.6 tp -147.91 127.75 13.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 1.0 110.469 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 154' ' ' VAL . 60.5 tp -98.87 140.1 33.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.557 178.176 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 5.4 t -143.93 144.25 23.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.688 -176.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 4.3 m -126.67 144.2 50.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.41 177.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -126.78 130.28 49.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.403 . . . . 1.0 110.71 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 170' ' ' HIS . . . . . 0.442 ' O ' HG13 ' A' ' 148' ' ' VAL . 1.5 p-80 -171.73 166.04 6.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.555 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -62.55 -155.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.602 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 172' ' ' GLU . . . . . 0.503 ' OE1' ' CB ' ' A' ' 150' ' ' SER . 24.1 tp10 -124.46 78.49 62.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.585 179.278 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -84.67 -52.09 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.833 2.355 . . . . 1.0 112.063 179.044 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -147.69 151.26 38.68 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.514 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.31 177.42 3.21 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.764 2.309 . . . . 1.0 112.048 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -109.2 115.63 30.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.596 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 46.4 m -69.32 144.37 53.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.572 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -66.23 -39.72 89.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.535 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -64.43 -54.47 32.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.502 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -65.26 -33.08 75.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.427 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 25.3 tp -57.52 -42.45 82.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.446 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -60.34 -48.54 81.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.344 -179.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 54.0 t -42.64 -49.76 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.103 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 91.1 t -72.92 -38.15 55.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.217 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -46.88 -33.97 5.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.095 178.274 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 10.7 mp -74.09 -41.23 61.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.092 178.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 187' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 187' ' ' LEU . 93.5 mt -53.87 -30.83 47.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.066 178.623 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -74.24 -38.91 63.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.061 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -59.15 -40.14 84.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.171 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -52.54 -54.33 34.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.113 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 81.9 t -54.89 -41.01 55.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.155 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 3.9 t -48.85 -36.0 15.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.16 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 193' ' ' ILE . . . . . 0.441 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -79.16 -32.77 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.969 -0.559 . . . . 1.0 110.074 179.383 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -70.5 -47.66 59.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.282 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 17.7 tt -64.23 -35.17 73.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.181 179.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 196' ' ' ALA . . . . . 0.586 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -76.32 -55.72 5.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.346 178.713 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -56.11 -25.11 44.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.399 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -75.37 -35.43 61.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.463 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -52.5 -39.42 61.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.444 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 200' ' ' LEU . . . . . 0.547 ' C ' HD23 ' A' ' 200' ' ' LEU . 2.8 tt -54.31 -64.65 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.474 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 87.3 p -63.23 -47.44 82.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.466 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 11.6 tp . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.01 -0.995 . . . . 1.0 110.599 179.779 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 64.3 tp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.841 0.353 . . . . 1.0 110.556 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -55.27 -34.53 64.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.568 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -74.15 -49.4 23.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.54 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.869 ' O ' HG23 ' A' ' 38' ' ' THR . 1.4 mp -60.44 -31.39 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.577 -178.277 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 92.7 mt -74.75 -25.88 59.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.598 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.501 ' O ' HG12 ' A' ' 39' ' ' VAL . 86.3 mtt180 -66.4 -35.73 81.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.621 178.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.22 -26.37 39.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.657 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.869 HG23 ' O ' ' A' ' 34' ' ' ILE . 43.3 p -76.84 -46.12 25.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.586 179.175 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.557 HG13 ' HB2' ' A' ' 68' ' ' ALA . 3.8 p -54.53 -36.5 35.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.65 -178.601 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.414 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 22.2 pt-20 -78.39 -32.17 48.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.575 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -63.7 -52.18 61.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.465 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.549 HG13 ' N ' ' A' ' 43' ' ' ARG . 7.2 p -61.63 -44.75 99.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.567 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.568 ' HE ' ' C ' ' A' ' 43' ' ' ARG . 1.6 tmm_? -47.91 -45.95 31.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.513 179.031 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.472 ' N ' ' HE ' ' A' ' 43' ' ' ARG . . . -58.97 -35.29 72.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.59 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -76.25 -51.91 11.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.5 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.624 ' N ' HD12 ' A' ' 46' ' ' LEU . 8.9 mp -79.97 -1.85 41.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.561 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 42.62 22.2 0.13 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 177.549 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.606 HG22 ' H ' ' A' ' 50' ' ' ARG . 1.2 m -75.71 137.07 40.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.845 0.355 . . . . 1.0 110.5 179.146 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.562 ' OD1' ' N ' ' A' ' 50' ' ' ARG . 30.8 p-10 -68.03 -20.24 64.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.603 -176.142 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.606 ' H ' HG22 ' A' ' 48' ' ' THR . 24.9 ttm180 -147.99 118.1 7.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.99 0.424 . . . . 1.0 111.011 -178.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.5 p -147.14 135.2 15.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.851 -0.613 . . . . 1.0 109.883 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.9 pttt -145.86 156.3 43.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.99 0.424 . . . . 1.0 111.256 -177.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.702 HG12 ' HB3' ' A' ' 66' ' ' ALA . 9.9 p -95.87 138.5 21.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.691 -0.686 . . . . 1.0 109.839 177.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.425 ' CZ ' ' HA3' ' A' ' 62' ' ' GLY . 68.1 t80 -123.21 119.18 29.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.887 0.375 . . . . 1.0 111.236 -177.005 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -94.94 162.67 13.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.96 -0.564 . . . . 1.0 109.92 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -129.83 144.78 51.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.912 0.387 . . . . 1.0 110.897 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 61' ' ' HIS . 21.3 t70 -115.04 133.82 22.61 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.301 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -44.33 -29.53 3.11 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.638 2.226 . . . . 1.0 112.051 179.248 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -73.02 -8.72 57.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.436 -178.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.68 20.11 25.32 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.788 -0.925 . . . . 1.0 110.788 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.505 ' O ' ' N ' ' A' ' 57' ' ' ASP . 79.7 m80 -119.54 143.82 47.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 1.0 110.706 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.425 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -139.08 161.21 25.94 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.665 -0.974 . . . . 1.0 110.665 178.74 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 76.9 p -140.28 160.57 39.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.827 0.346 . . . . 1.0 110.763 -177.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.9 t -100.2 115.16 40.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.165 176.038 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.8 m -105.93 2.04 10.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.88 -176.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.702 ' HB3' HG12 ' A' ' 53' ' ' VAL . . . -159.31 148.12 18.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.879 0.371 . . . . 1.0 110.869 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -166.11 125.33 1.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.191 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.557 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -127.59 152.81 47.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.871 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.535 ' C ' HH11 ' A' ' 43' ' ' ARG . 35.2 ptt-85 -139.84 145.12 37.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.476 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.69 13.68 66.07 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.914 -0.875 . . . . 1.0 110.914 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -173.02 -120.3 0.56 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.789 -0.924 . . . . 1.0 110.789 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -175.66 50.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.768 0.318 . . . . 1.0 110.561 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 52.2 ttm-85 -79.96 -57.77 3.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.518 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.404 ' CB ' ' NH2' ' A' ' 50' ' ' ARG . 12.3 mt -97.05 166.68 13.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.515 178.44 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PRO . . . . . 0.518 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 2.9 Cg_exo -77.49 174.84 12.07 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.703 2.268 . . . . 1.0 112.064 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.9 m -95.53 140.33 30.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.722 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.551 HD11 ' NH1' ' A' ' 50' ' ' ARG . 43.4 mt -110.86 -12.79 14.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.438 -179.156 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.9 tp -43.38 137.97 2.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.553 -178.251 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.02 0.11 68.66 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.857 -0.897 . . . . 1.0 110.857 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.825 HD23 ' N ' ' A' ' 81' ' ' THR . 2.7 tt -99.79 130.01 45.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 1.0 110.576 -179.548 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.825 ' N ' HD23 ' A' ' 80' ' ' LEU . 12.9 t -96.98 132.54 42.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.641 178.48 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 23.2 m-85 -106.76 149.22 38.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.555 -179.301 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -80.42 147.63 18.06 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.868 2.379 . . . . 1.0 112.121 177.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.22 -32.34 72.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.702 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -51.47 -24.91 12.15 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -60.28 -29.3 68.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 1.0 110.602 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.62 ' O ' ' O ' ' A' ' 88' ' ' PRO . 86.9 mt -114.52 93.06 30.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.553 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.62 ' O ' ' O ' ' A' ' 87' ' ' ILE . 83.6 Cg_exo -43.81 -120.69 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.827 2.352 . . . . 1.0 112.198 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -154.66 -60.78 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.612 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.4 ' CG ' ' N ' ' A' ' 91' ' ' ALA . 11.2 pt-20 -45.85 -40.6 10.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.56 -178.538 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.4 ' N ' ' CG ' ' A' ' 90' ' ' GLU . . . -66.5 -44.91 81.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.571 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.593 HH21 ' CG2' ' A' ' 87' ' ' ILE . 39.1 ttm180 -60.16 -24.76 65.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.536 -178.743 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 96' ' ' ARG . 97.2 mtt180 -60.52 -51.85 67.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.475 -178.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.608 ' O ' ' N ' ' A' ' 98' ' ' ALA . 28.4 mt -47.29 -43.97 22.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.465 -179.338 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 32.6 m-85 -67.06 -25.01 66.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.756 179.308 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.479 ' C ' HD12 ' A' ' 97' ' ' LEU . 50.1 mtp180 -88.58 -25.61 22.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.7 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.479 HD12 ' C ' ' A' ' 96' ' ' ARG . 10.3 mp -104.99 -46.42 4.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.193 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.608 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -93.62 -18.28 22.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.43 -177.04 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.488 ' C ' ' O ' ' A' ' 98' ' ' ALA . 86.9 mt-30 34.4 63.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.266 178.149 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.562 HG23 ' N ' ' A' ' 101' ' ' ARG . 25.3 m -103.23 -45.13 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.856 176.134 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.562 ' N ' HG23 ' A' ' 100' ' ' VAL . 0.6 OUTLIER 58.95 56.75 3.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.273 173.352 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.625 ' C ' HD12 ' A' ' 103' ' ' ILE . 15.4 m -154.21 129.1 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.609 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.625 HD12 ' C ' ' A' ' 102' ' ' VAL . 1.7 mp -108.36 137.74 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.712 177.451 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.668 HG22 ' N ' ' A' ' 105' ' ' ASP . 11.2 p -79.54 168.63 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.298 -177.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.668 ' N ' HG22 ' A' ' 104' ' ' VAL . 28.1 m-20 -48.75 123.74 7.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.461 -178.637 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.404 ' CG2' HG13 ' A' ' 140' ' ' VAL . 9.8 p -60.65 -12.68 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.507 179.153 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -77.06 -32.57 56.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.302 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.39 -8.47 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.292 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 45.95 61.36 2.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.704 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 135' ' ' VAL . 17.9 p -86.28 140.11 30.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.386 175.76 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -122.81 131.65 53.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.841 -177.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.535 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 10.8 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.187 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.744 0.307 . . . . 1.0 110.464 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.565 ' NE ' HD13 ' A' ' 94' ' ' LEU . 9.1 mmp_? -116.86 108.91 43.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.733 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -79.85 140.69 14.67 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.709 2.273 . . . . 1.0 111.926 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.883 HG21 ' ND1' ' A' ' 139' ' ' HIS . 35.8 m -124.55 133.24 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.536 -177.78 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.535 ' HA ' ' H ' ' A' ' 112' ' ' SER . 0.1 OUTLIER -43.29 159.85 0.22 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.452 179.195 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -55.07 -48.72 19.51 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.857 2.371 . . . . 1.0 111.929 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -46.83 -26.14 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.415 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.883 ' ND1' HG21 ' A' ' 135' ' ' VAL . 35.9 t-80 -87.48 -40.52 14.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.282 177.145 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.404 HG13 ' CG2' ' A' ' 106' ' ' VAL . 66.8 t -48.38 -47.21 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.531 178.592 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.518 ' CD2' ' OG ' ' A' ' 145' ' ' SER . 84.1 t60 -65.77 -39.35 90.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.347 178.438 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -46.9 -55.61 7.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.436 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 143' ' ' LEU . 94.0 mt -66.39 -50.38 63.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.415 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -56.87 -40.56 76.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.494 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' SER . . . . . 0.518 ' OG ' ' CD2' ' A' ' 141' ' ' HIS . 45.6 m -54.1 -27.35 32.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.495 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 47.5 mtt -89.68 2.75 54.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.395 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 66.53 22.41 71.44 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 179.15 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.539 HG12 ' O ' ' A' ' 150' ' ' SER . 3.2 t -107.51 119.23 56.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.678 0.275 . . . . 1.0 110.718 178.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -78.89 -34.64 44.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.274 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' SER . . . . . 0.539 ' O ' HG12 ' A' ' 148' ' ' VAL . 96.0 p -107.57 150.7 26.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.105 -177.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.4 t -146.94 104.21 3.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.928 0.394 . . . . 1.0 111.092 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 55.6 tp -97.28 132.43 43.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.993 -0.549 . . . . 1.0 109.985 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.524 HG22 ' HD3' ' A' ' 155' ' ' PRO . 8.5 p -128.44 151.4 35.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.035 0.445 . . . . 1.0 111.227 -179.392 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.426 ' O ' ' HB3' ' A' ' 166' ' ' LEU . 48.1 t -152.9 74.63 6.97 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.756 -0.657 . . . . 1.0 109.933 -178.032 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 155' ' ' PRO . . . . . 0.524 ' HD3' HG22 ' A' ' 153' ' ' VAL . 53.9 Cg_exo -48.7 157.67 1.43 Allowed 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.915 2.41 . . . . 1.0 112.703 -179.211 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 25.8 mt -117.19 101.05 8.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.199 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 35.3 mtp -106.31 125.35 50.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.776 -178.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 158' ' ' HIS . . . . . 0.425 ' HB3' ' CD1' ' A' ' 163' ' ' TRP . 12.0 t60 -106.78 122.53 46.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.386 177.186 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.442 ' CG ' ' N ' ' A' ' 160' ' ' GLN . 33.3 t-80 59.69 -104.44 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.376 -178.426 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 160' ' ' GLN . . . . . 0.442 ' N ' ' CG ' ' A' ' 159' ' ' HIS . 1.4 tt0 -121.48 1.85 10.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.451 -179.272 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 162' ' ' LEU . 32.5 tp10 -117.51 158.51 24.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.602 -176.182 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.433 ' N ' ' HG3' ' A' ' 161' ' ' GLU . 6.1 tt -103.44 122.5 45.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.472 177.747 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 163' ' ' TRP . . . . . 0.425 ' CD1' ' HB3' ' A' ' 158' ' ' HIS . 74.2 m95 -106.31 -40.9 5.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.888 -176.412 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -136.82 173.3 22.19 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.177 -0.769 . . . . 1.0 111.177 -177.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 165' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 54' ' ' TYR . 11.1 tp -145.41 118.56 8.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 1.0 110.386 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.426 ' HB3' ' O ' ' A' ' 154' ' ' VAL . 29.5 tp -96.58 140.19 31.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.516 178.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 7.3 p -146.21 141.21 21.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.672 -177.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.47 143.95 51.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.431 178.295 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 169' ' ' HIS . . . . . 0.629 ' ND1' ' N ' ' A' ' 169' ' ' HIS . 0.0 OUTLIER -146.82 140.47 25.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.76 -179.462 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 170' ' ' HIS . . . . . 0.603 ' CG ' ' N ' ' A' ' 171' ' ' ALA . 33.7 t60 -172.03 164.35 6.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.467 -179.569 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.603 ' N ' ' CG ' ' A' ' 170' ' ' HIS . . . -47.9 171.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.619 177.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -59.96 107.52 1.05 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.594 -178.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 173' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 171' ' ' ALA . 75.4 Cg_endo -93.13 -97.98 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.871 2.381 . . . . 1.0 112.045 178.675 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.543 ' NE ' ' O ' ' A' ' 175' ' ' PRO . 0.0 OUTLIER -154.84 157.53 32.02 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.517 179.365 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 175' ' ' PRO . . . . . 0.543 ' O ' ' NE ' ' A' ' 174' ' ' ARG . 54.5 Cg_exo -49.98 165.54 0.32 Allowed 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.839 2.359 . . . . 1.0 111.99 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -109.99 130.42 55.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.596 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 56.2 p -95.94 149.47 21.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.548 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -65.15 -36.34 83.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.55 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -64.37 -56.13 16.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.504 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.42 -32.41 74.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.47 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 26.2 tp -57.62 -40.39 79.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.341 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -63.58 -48.63 76.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.384 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 47.9 t -42.77 -53.5 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.146 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 184' ' ' VAL . . . . . 0.406 HG12 ' H ' ' A' ' 184' ' ' VAL . 4.8 p -74.36 -35.42 39.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.154 -178.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -48.04 -40.01 21.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.061 178.066 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 19.9 tp -73.34 -34.61 65.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.038 178.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 14.6 tp -56.03 -32.38 63.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.08 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -74.18 -39.44 63.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.113 178.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -56.19 -38.9 71.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.217 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -54.48 -54.43 41.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.188 178.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 86.5 t -55.99 -43.06 73.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.141 178.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 3.8 m -49.44 -33.74 14.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.179 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 71.7 mt -80.93 -32.65 12.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.118 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 194' ' ' ALA . . . . . 0.421 ' O ' ' HB2' ' A' ' 198' ' ' ALA . . . -70.69 -46.43 63.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.255 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 8.5 tp -65.03 -35.06 74.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.173 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 196' ' ' ALA . . . . . 0.404 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.55 -56.64 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.365 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -58.04 -25.57 61.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.378 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 198' ' ' ALA . . . . . 0.421 ' HB2' ' O ' ' A' ' 194' ' ' ALA . . . -74.82 -36.76 62.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.382 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -52.78 -38.41 61.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.396 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 47.3 tp -58.29 -60.2 4.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.441 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 89.4 p -64.75 -48.39 74.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.496 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 8.9 tp . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.027 -0.987 . . . . 1.0 110.563 179.744 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.629 HD12 ' N ' ' A' ' 31' ' ' LEU . 7.6 mp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.801 0.334 . . . . 1.0 110.547 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.429 ' OD1' HG11 ' A' ' 65' ' ' VAL . 84.2 m-20 -55.3 -32.98 62.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.579 -179.442 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -77.64 -54.39 6.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.49 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.682 HD13 ' O ' ' A' ' 34' ' ' ILE . 0.3 OUTLIER -59.94 -30.18 44.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.563 -177.892 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.497 ' O ' ' OG1' ' A' ' 38' ' ' THR . 83.2 mt -73.85 -33.35 64.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.646 -178.585 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -55.42 -36.91 66.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.546 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.86 -25.73 53.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.585 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 34' ' ' ILE . 68.9 p -73.69 -43.87 58.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.616 178.691 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.588 HG21 ' HB3' ' A' ' 66' ' ' ALA . 58.2 t -59.83 -40.9 83.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.676 179.162 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -71.29 -38.0 71.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.589 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -64.0 -44.18 93.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.514 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 38' ' ' THR . 91.7 t -65.31 -48.06 84.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.486 -179.586 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.687 HH11 ' N ' ' A' ' 69' ' ' ARG . 43.7 ttp180 -47.32 -43.5 22.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.54 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.47 -36.27 77.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.537 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -76.76 -50.34 13.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.503 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.546 ' O ' ' N ' ' A' ' 48' ' ' THR . 32.0 mt -80.57 -2.78 47.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.624 179.258 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.57 22.29 0.05 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.929 -0.868 . . . . 1.0 110.929 177.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.546 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.2 m -73.54 138.23 44.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.814 0.34 . . . . 1.0 110.6 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.484 ' CG ' ' ND1' ' A' ' 170' ' ' HIS . 89.4 m-20 -52.72 -39.41 62.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.616 -177.383 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.534 ' NH1' ' OE2' ' A' ' 67' ' ' GLU . 51.8 ttm-85 -146.53 128.13 15.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.003 -177.051 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.0 p -145.52 140.76 22.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.906 -0.588 . . . . 1.0 109.849 177.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.6 pttm -146.28 164.66 31.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.001 0.429 . . . . 1.0 111.245 -177.019 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.5 p -105.99 137.42 36.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.687 -0.688 . . . . 1.0 109.88 178.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.404 ' CZ ' ' HA3' ' A' ' 62' ' ' GLY . 13.3 t80 -120.51 121.0 37.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.903 0.382 . . . . 1.0 111.236 -177.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.466 ' HG3' ' H ' ' A' ' 56' ' ' PHE . 4.8 tpt180 -95.32 163.53 13.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.002 -0.545 . . . . 1.0 109.865 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . 0.466 ' H ' ' HG3' ' A' ' 55' ' ' ARG . 86.3 t80 -129.95 146.5 51.65 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.731 -0.388 . . . . 1.0 110.936 -178.562 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 9.2 t70 -117.14 133.11 23.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.29 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -43.47 -30.47 2.54 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.781 2.321 . . . . 1.0 112.071 178.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -72.48 -11.35 60.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.436 -178.175 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 100.43 16.21 27.71 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.753 -0.939 . . . . 1.0 110.753 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.478 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 80.0 m-70 -112.93 138.6 49.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.839 0.352 . . . . 1.0 110.721 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.404 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -132.57 154.15 20.95 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.656 -0.978 . . . . 1.0 110.656 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 82.8 p -138.91 159.14 42.84 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.947 -0.301 . . . . 1.0 110.783 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.578 HG23 ' H ' ' A' ' 79' ' ' GLY . 0.2 OUTLIER -100.73 110.93 28.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.17 175.789 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.429 HG11 ' OD1' ' A' ' 32' ' ' ASP . 23.9 m -95.18 3.28 9.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.798 -176.117 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.588 ' HB3' HG21 ' A' ' 39' ' ' VAL . . . -163.81 153.17 14.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.878 0.37 . . . . 1.0 110.952 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.534 ' OE2' ' NH1' ' A' ' 50' ' ' ARG . 58.9 tt0 -164.49 123.09 1.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.306 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -122.07 141.73 51.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.813 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.687 ' N ' HH11 ' A' ' 43' ' ' ARG . 0.0 OUTLIER -133.3 143.17 48.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.064 -0.517 . . . . 1.0 110.459 179.281 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -95.06 -81.45 1.55 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.884 -0.886 . . . . 1.0 110.884 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.23 0.1 81.1 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.802 -0.919 . . . . 1.0 110.802 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 55.86 56.7 5.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.8 0.333 . . . . 1.0 110.537 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.477 ' NH2' ' C ' ' A' ' 170' ' ' HIS . 18.0 ttp180 -79.25 -57.23 3.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.559 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.436 ' HB2' ' HE ' ' A' ' 50' ' ' ARG . 12.0 mt -90.78 167.19 16.85 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.497 178.764 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -79.0 171.28 16.66 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.761 2.307 . . . . 1.0 112.132 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.5 p -88.81 132.15 34.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.731 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.9 mt -108.15 -10.86 15.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.481 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.8 tp -41.94 136.7 2.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.534 -177.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.578 ' H ' HG23 ' A' ' 64' ' ' VAL . . . 92.03 -0.73 72.98 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 179.467 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.6 HD22 ' CZ ' ' A' ' 82' ' ' PHE . 4.5 tt -95.89 130.11 42.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 1.0 110.563 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.501 ' O ' HG23 ' A' ' 81' ' ' THR . 10.0 t -95.96 124.8 40.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.588 178.282 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.6 ' CZ ' HD22 ' A' ' 80' ' ' LEU . 16.4 m-85 -98.83 141.82 23.55 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.544 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.13 139.38 18.96 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.812 2.341 . . . . 1.0 112.222 177.668 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.05 -32.94 64.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.672 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.94 -23.22 3.47 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -56.08 -32.7 64.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.806 0.336 . . . . 1.0 110.541 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 7.9 mt -133.39 97.75 15.87 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.474 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.509 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 94.0 Cg_exo -39.74 -92.44 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.776 2.317 . . . . 1.0 112.169 -179.641 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.509 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 79.3 tt0 -174.61 -28.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.541 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 93' ' ' ARG . 16.2 pt-20 -64.08 -38.47 91.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.544 -178.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.7 -33.51 76.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.568 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.479 HH21 HH22 ' A' ' 93' ' ' ARG . 61.5 ttp180 -69.87 -23.63 63.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.531 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.479 HH22 HH21 ' A' ' 92' ' ' ARG . 13.8 mmp_? -57.78 -56.83 16.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.454 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.645 ' O ' ' N ' ' A' ' 98' ' ' ALA . 9.4 mt -50.53 -41.27 53.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.503 179.195 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -63.07 -25.26 68.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.764 178.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.534 ' C ' HD12 ' A' ' 97' ' ' LEU . 58.0 mtp180 -90.24 -28.94 18.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.593 -178.514 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.534 HD12 ' C ' ' A' ' 96' ' ' ARG . 11.0 mp -106.76 -44.77 4.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.231 -177.759 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.645 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -87.43 -27.37 22.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.466 -176.662 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.467 ' C ' ' O ' ' A' ' 98' ' ' ALA . 89.2 mt-30 35.25 61.23 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.362 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.626 HG13 ' N ' ' A' ' 101' ' ' ARG . 8.7 p -115.42 -49.05 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.837 177.128 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.626 ' N ' HG13 ' A' ' 100' ' ' VAL . 0.1 OUTLIER 56.95 66.37 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.307 173.744 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.593 ' C ' HD12 ' A' ' 103' ' ' ILE . 67.2 t -144.51 124.39 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.575 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.753 HD12 ' N ' ' A' ' 103' ' ' ILE . 2.5 mp -109.52 131.73 59.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.727 178.601 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.444 HG22 ' H ' ' A' ' 104' ' ' VAL . 0.2 OUTLIER -84.72 172.5 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.257 -177.941 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 105' ' ' ASP . 0.5 OUTLIER -51.82 120.36 5.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.466 -178.329 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.8 m -58.05 -8.2 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.558 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -81.27 -31.74 33.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.335 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.22 -13.11 4.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.381 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 49.88 57.67 6.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.719 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.6 t -94.12 138.8 31.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.38 175.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -122.41 135.97 54.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.869 -176.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.417 ' O ' ' CG ' ' A' ' 136' ' ' ASP . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.207 177.463 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.701 0.286 . . . . 1.0 110.521 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -130.36 84.58 59.18 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.633 -178.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -50.02 146.39 17.2 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.76 2.307 . . . . 1.0 111.937 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 16.7 t -128.62 135.59 62.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.515 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.417 ' CG ' ' O ' ' A' ' 112' ' ' SER . 21.2 m-20 -44.13 155.86 0.33 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.405 -179.478 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' PRO . . . . . 0.403 ' O ' ' HB ' ' A' ' 140' ' ' VAL . 52.8 Cg_exo -51.48 -11.21 0.63 Allowed 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.828 2.352 . . . . 1.0 111.915 178.559 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -44.65 79.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.419 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' HIS . . . . . 0.596 ' CD2' HD22 ' A' ' 143' ' ' LEU . 0.9 OUTLIER -83.51 -23.6 32.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.296 -177.741 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 141' ' ' HIS . 4.8 t -50.18 -64.36 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.496 -179.425 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' HIS . . . . . 0.415 ' N ' HG12 ' A' ' 140' ' ' VAL . 38.9 m-70 -63.76 -42.66 97.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.454 178.445 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -49.95 -55.32 14.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.452 178.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' LEU . . . . . 0.596 HD22 ' CD2' ' A' ' 139' ' ' HIS . 8.9 mp -64.88 -53.55 44.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.395 179.432 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -55.15 -41.33 71.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.465 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.8 t -54.02 -26.25 25.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.516 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 34.9 mtt -92.22 -1.88 56.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.442 177.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 69.7 24.34 76.33 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.871 -0.892 . . . . 1.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 148' ' ' VAL . 2.9 m -112.22 120.18 61.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 1.0 110.62 179.57 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -91.45 -12.58 34.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.272 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 39.1 t -113.17 144.81 42.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.105 -179.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.17 97.22 2.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 1.0 111.076 178.357 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 56.7 tp -98.96 134.25 42.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.034 -0.53 . . . . 1.0 109.99 178.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' VAL . . . . . 0.623 HG13 ' HB3' ' A' ' 101' ' ' ARG . 1.3 p -128.71 151.41 35.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.092 0.473 . . . . 1.0 111.211 -177.325 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 154' ' ' VAL . . . . . 0.412 ' CG2' ' C ' ' A' ' 153' ' ' VAL . 1.5 t -150.74 100.04 3.11 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.688 -0.687 . . . . 1.0 109.999 -179.241 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.23 151.08 33.77 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.966 2.444 . . . . 1.0 112.675 -173.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 34.1 mt -118.28 95.36 4.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.181 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.422 ' O ' ' OG ' ' A' ' 192' ' ' SER . 21.5 ptm -111.81 135.31 52.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.723 -177.748 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 158' ' ' HIS . . . . . 0.475 ' O ' ' HB3' ' A' ' 159' ' ' HIS . 38.9 t60 -116.13 121.5 42.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.419 177.282 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 159' ' ' HIS . . . . . 0.486 ' CG ' ' OE1' ' A' ' 160' ' ' GLN . 15.4 t-80 77.2 -113.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.406 -177.585 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 160' ' ' GLN . . . . . 0.486 ' OE1' ' CG ' ' A' ' 159' ' ' HIS . 9.0 mp0 -121.58 6.63 10.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.396 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.509 ' N ' ' OE1' ' A' ' 161' ' ' GLU . 37.7 mp0 -117.77 161.55 19.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.526 -176.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 162' ' ' LEU . . . . . 0.535 HD12 ' N ' ' A' ' 162' ' ' LEU . 6.4 mp -106.58 126.01 51.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.442 177.234 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 163' ' ' TRP . . . . . 0.422 ' HE1' ' HB3' ' A' ' 158' ' ' HIS . 84.1 m95 -104.0 -40.13 6.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.919 -176.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -141.77 175.61 22.44 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.279 -0.728 . . . . 1.0 111.279 -177.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 5.2 tp -148.96 141.19 24.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.787 0.327 . . . . 1.0 110.381 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 166' ' ' LEU . . . . . 0.466 ' O ' HG23 ' A' ' 153' ' ' VAL . 8.2 tp -112.44 147.59 36.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.652 178.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 69.2 t -151.89 136.6 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.722 -179.206 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.4 143.27 49.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.377 179.353 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -130.14 137.4 50.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.748 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 170' ' ' HIS . . . . . 0.742 ' CD2' ' N ' ' A' ' 171' ' ' ALA . 49.1 t60 -169.91 172.41 6.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.475 -178.476 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.742 ' N ' ' CD2' ' A' ' 170' ' ' HIS . . . -50.19 -157.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.544 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -44.94 144.71 1.84 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.644 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -84.79 -179.05 3.51 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.84 2.36 . . . . 1.0 112.047 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 71.5 mtt85 -150.55 148.69 24.37 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.44 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.27 139.15 76.03 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.739 2.293 . . . . 1.0 112.047 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -105.48 123.15 47.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.646 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 50.5 m -65.18 146.15 55.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.533 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -63.36 -34.95 78.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.457 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -68.01 -41.87 81.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.516 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -78.78 -28.46 44.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.437 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 21.5 tp -60.28 -50.18 74.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.36 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 182' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 183' ' ' VAL . 13.5 pt20 -60.92 -44.96 96.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.435 -179.033 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 183' ' ' VAL . . . . . 0.422 ' N ' ' HG3' ' A' ' 182' ' ' GLN . 53.4 t -44.44 -55.25 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.173 -179.284 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 23.7 m -74.49 -34.91 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.199 -178.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -47.23 -40.13 15.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.025 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 79.5 mt -73.68 -34.08 64.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.047 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 6.6 tt -56.62 -33.97 66.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.033 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -73.79 -37.83 64.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.138 178.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -59.91 -38.38 82.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.184 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -55.19 -55.06 35.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.199 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 38.9 t -55.15 -44.88 76.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.136 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 192' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 157' ' ' MET . 8.4 t -49.63 -34.1 17.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.076 179.296 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 70.4 mt -81.71 -31.76 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.126 178.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -68.53 -45.83 71.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.221 -179.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 2.3 pp -68.42 -27.39 36.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.196 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 196' ' ' ALA . . . . . 0.434 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -76.19 -57.59 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.357 178.53 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -57.49 -24.88 58.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.4 179.093 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -75.11 -35.57 61.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.445 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -54.84 -39.33 68.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.467 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 46.5 tp -59.76 -61.31 2.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.498 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 83.6 p -60.33 -45.69 92.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.503 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 202' ' ' LEU . . . . . 0.421 HD22 HD13 ' A' ' 31' ' ' LEU . 12.8 tp . . . . . 0 C--O 1.221 -0.411 0 CA-C-O 117.946 -1.026 . . . . 1.0 110.496 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 tt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.838 0.352 . . . . 1.0 110.533 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 33' ' ' GLN . 33.1 p-10 -57.48 -38.75 75.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.525 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.486 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 96.2 mt-30 -70.47 -53.18 17.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.494 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.602 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.7 mp -50.62 -49.2 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.629 -178.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.572 HD21 HG22 ' A' ' 195' ' ' ILE . 89.7 mt -58.19 -31.27 67.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.597 -177.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.598 ' O ' HG12 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -51.75 -39.05 57.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.6 179.516 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.29 -24.21 37.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.619 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 42.2 p -72.86 -46.26 53.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.618 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 36' ' ' ARG . 3.8 p -52.62 -40.41 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.706 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.48 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 10.6 pt-20 -79.32 -34.19 42.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.622 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -62.51 -53.67 51.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.541 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.7 t -61.02 -44.51 98.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.488 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.5 ttm180 -46.76 -41.75 15.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.474 179.089 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.23 -40.62 94.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.531 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -72.94 -52.45 14.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.546 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.583 ' O ' ' N ' ' A' ' 48' ' ' THR . 20.3 mt -78.75 -0.65 31.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.505 179.209 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.4 20.62 0.03 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.929 -0.869 . . . . 1.0 110.929 178.042 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.583 ' N ' ' O ' ' A' ' 46' ' ' LEU . 2.6 m -73.93 138.43 44.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.361 . . . . 1.0 110.57 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.575 ' O ' ' N ' ' A' ' 70' ' ' GLY . 2.7 p-10 -64.34 -32.24 73.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.6 -176.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.646 HH12 ' NZ ' ' A' ' 52' ' ' LYS . 66.2 ttp85 -138.53 123.7 19.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.967 0.413 . . . . 1.0 111.013 -176.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.491 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 3.1 t -143.91 133.71 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.876 -0.602 . . . . 1.0 109.855 176.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.646 ' NZ ' HH12 ' A' ' 50' ' ' ARG . 23.8 pttm -141.55 155.12 45.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.975 0.417 . . . . 1.0 111.261 -178.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 79.4 t -103.8 139.06 25.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.75 -0.659 . . . . 1.0 109.891 178.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.415 ' HB2' HBB1 ' A' ' 301' ' ' CYC . 20.4 t80 -122.75 118.89 29.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.934 0.397 . . . . 1.0 111.172 -178.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -95.42 163.29 13.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.971 -0.559 . . . . 1.0 109.959 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.526 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 89.6 t80 -129.56 147.25 51.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.978 0.418 . . . . 1.0 110.842 -177.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.536 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -117.61 148.85 43.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.355 179.522 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.73 -27.52 85.13 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.744 2.296 . . . . 1.0 112.051 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -74.57 -8.38 56.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.43 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.08 21.94 21.55 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.79 -0.924 . . . . 1.0 110.79 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 75.5 m80 -116.26 138.88 50.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.877 0.37 . . . . 1.0 110.736 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.571 ' O ' HG23 ' A' ' 81' ' ' THR . . . -129.39 149.85 18.75 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.629 -0.989 . . . . 1.0 110.629 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.4 p -132.91 153.9 50.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 1.0 110.738 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.8 t -95.95 113.97 31.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.167 176.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.447 HG21 HD12 ' A' ' 35' ' ' LEU . 11.2 m -100.95 2.79 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.849 -177.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.401 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -163.16 150.38 12.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.908 0.385 . . . . 1.0 110.911 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 87.9 tt0 -168.18 128.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.269 -179.274 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.481 ' O ' ' HA ' ' A' ' 50' ' ' ARG . . . -119.62 152.3 37.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.841 177.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 75.3 mtm180 -133.85 141.59 47.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.467 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -92.9 -103.23 1.56 Allowed Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.801 -0.92 . . . . 1.0 110.801 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.93 16.36 1.54 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.79 -0.924 . . . . 1.0 110.79 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.499 ' H ' ' C ' ' A' ' 70' ' ' GLY . 47.3 mp0 50.88 53.93 12.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.782 0.325 . . . . 1.0 110.562 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.643 ' NH1' ' N ' ' A' ' 171' ' ' ALA . 8.3 ptm180 -85.75 -15.27 42.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.532 177.354 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.3 mt -132.33 152.79 80.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.484 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -72.5 169.15 22.47 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.807 2.338 . . . . 1.0 112.114 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.3 p -84.35 117.52 23.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.648 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.489 ' H ' ' CD ' ' A' ' 67' ' ' GLU . 54.0 mt -92.33 -12.98 30.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.434 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.53 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 12.9 tp -47.45 138.14 7.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.513 -178.145 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.98 -0.64 73.04 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 87.6 mt -98.29 132.37 43.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.768 0.318 . . . . 1.0 110.54 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 62' ' ' GLY . 17.3 m -94.71 123.26 38.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.571 177.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -92.98 138.03 23.51 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.55 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.405 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 73.5 Cg_endo -76.75 140.64 21.02 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.873 2.382 . . . . 1.0 112.144 179.287 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.29 -34.62 72.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.68 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.33 -24.81 3.88 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' A' ' 87' ' ' ILE . 54.3 p30 -53.9 -24.0 14.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 1.0 110.613 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.546 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 27.6 mt -141.99 131.75 12.49 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.552 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.07 -93.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.836 2.357 . . . . 1.0 112.173 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 19.7 pt-20 -166.69 -48.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.552 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.432 ' N ' ' CG ' ' A' ' 89' ' ' GLU . 18.8 pt-20 -47.35 -39.28 14.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.578 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.665 ' HB2' HBD2 ' A' ' 301' ' ' CYC . . . -68.23 -43.34 78.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.599 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 95' ' ' PHE . 75.7 ttt-85 -63.08 -27.25 69.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.608 -178.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -55.09 -47.45 74.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.511 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.732 ' H ' HD12 ' A' ' 94' ' ' LEU . 7.0 mp -53.87 -37.02 63.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.523 179.258 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.665 ' HD1' ' H ' ' A' ' 95' ' ' PHE . 2.2 m-85 -61.06 -19.73 61.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.74 178.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.569 ' C ' HD12 ' A' ' 97' ' ' LEU . 46.9 mtp85 -94.57 -33.26 13.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.739 -178.366 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.608 HD12 ' N ' ' A' ' 97' ' ' LEU . 10.3 mp -106.4 -39.83 5.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.258 -177.245 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.622 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -81.29 -33.01 32.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.417 -176.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.595 ' NE2' ' SD ' ' A' ' 157' ' ' MET . 33.0 mm-40 31.73 57.27 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.31 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.629 HG13 ' N ' ' A' ' 101' ' ' ARG . 8.6 p -146.24 -49.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.807 177.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.641 ' NE ' ' CZ ' ' A' ' 95' ' ' PHE . 16.7 mmm180 45.82 98.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.275 174.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 102' ' ' VAL . 10.5 p -142.32 129.41 19.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.596 177.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 12.4 mt -110.57 130.92 63.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.714 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.699 HG12 ' N ' ' A' ' 105' ' ' ASP . 47.5 t -85.33 171.53 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.344 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.699 ' N ' HG12 ' A' ' 104' ' ' VAL . 30.6 t0 -49.02 118.92 2.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.49 -178.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.8 m -56.5 -8.83 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.604 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -76.52 -33.25 58.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.282 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.57 -13.78 10.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.311 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 49.48 62.93 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.719 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.7 p -85.66 139.47 31.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.325 175.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 76.4 mtp85 -122.53 129.68 52.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.85 -177.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.831 ' C ' HD13 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -141.54 116.58 9.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.25 178.141 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.831 HD13 ' C ' ' A' ' 112' ' ' SER . 0.0 OUTLIER -117.83 -167.53 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.743 -179.718 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 70.8 m -76.49 173.63 11.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.699 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -132.89 149.95 74.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.469 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 117' ' ' GLU . 63.2 Cg_endo -73.71 119.94 6.17 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.838 2.359 . . . . 1.0 112.179 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 116' ' ' PRO . 47.1 mp0 39.0 81.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.614 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 35.8 m -143.95 53.9 1.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.628 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -57.29 -33.91 68.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.581 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 63.55 100.8 0.01 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 17.5 tp -94.59 128.38 41.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.794 0.331 . . . . 1.0 110.541 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 82.4 p -153.21 153.95 33.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.617 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -76.43 -58.79 3.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.515 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 179.95 85.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.556 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 43.9 t -121.21 93.26 48.81 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.52 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -51.24 141.45 39.4 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.769 2.313 . . . . 1.0 112.096 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.694 HD12 ' N ' ' A' ' 127' ' ' LEU . 8.0 mp 55.28 -116.22 1.02 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.608 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 69.84 32.84 70.28 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.884 -0.887 . . . . 1.0 110.884 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.19 174.01 4.44 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 1.0 110.602 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -46.29 157.69 0.41 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.892 2.395 . . . . 1.0 112.135 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 44.7 mt -69.58 -7.85 42.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.349 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 59.9 mm-40 -130.21 163.0 27.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.473 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -123.36 82.16 52.72 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.619 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -51.22 142.87 34.94 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.738 2.292 . . . . 1.0 112.032 178.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.4 t -129.36 137.66 56.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.511 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.641 ' OD2' HAD2 ' A' ' 301' ' ' CYC . 0.0 OUTLIER -45.01 158.7 0.28 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.47 179.751 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.29 -10.67 1.38 Allowed 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.794 2.329 . . . . 1.0 111.939 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.412 ' SG ' ' CHD' ' A' ' 301' ' ' CYC . 0.1 OUTLIER -57.29 -43.21 82.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.373 179.411 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.407 ' ND1' ' N ' ' A' ' 140' ' ' VAL . 1.0 OUTLIER -82.23 -27.86 32.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.234 -178.096 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.407 ' N ' ' ND1' ' A' ' 139' ' ' HIS . 9.8 t -48.31 -64.87 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.551 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 145' ' ' SER . 84.2 t60 -62.97 -40.93 99.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.462 178.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -49.65 -58.61 4.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.486 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.403 ' O ' HG22 ' A' ' 148' ' ' VAL . 10.3 mp -63.1 -54.5 36.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.373 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.44 -41.41 66.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.473 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 141' ' ' HIS . 40.0 t -54.76 -28.49 49.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.41 178.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 40.5 mtt -88.22 -2.83 58.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.469 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.547 ' O ' ' NH2' ' A' ' 73' ' ' ARG . . . 70.22 23.4 77.32 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.881 -0.888 . . . . 1.0 110.881 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 148' ' ' VAL . 9.0 m -107.82 114.28 45.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.789 0.328 . . . . 1.0 110.654 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -77.02 -31.97 56.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.269 -178.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 95.9 p -109.48 152.21 25.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.903 -0.589 . . . . 1.0 110.101 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 4.2 t -149.93 104.71 3.32 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.719 -0.392 . . . . 1.0 111.082 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 62.6 tp -100.84 116.36 32.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.009 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.475 ' CG2' ' N ' ' A' ' 154' ' ' VAL . 1.3 p -118.17 155.09 20.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.051 0.453 . . . . 1.0 111.183 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.475 ' N ' ' CG2' ' A' ' 153' ' ' VAL . 1.4 t -151.81 121.78 3.54 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.677 -0.692 . . . . 1.0 109.912 -177.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' PRO . . . . . 0.404 ' HA ' HD12 ' A' ' 165' ' ' LEU . 89.0 Cg_endo -79.8 144.6 17.38 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.924 2.416 . . . . 1.0 112.706 -176.081 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 46.3 mt -115.66 95.43 5.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.218 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.595 ' SD ' ' NE2' ' A' ' 99' ' ' GLN . 18.5 ptm -113.65 136.54 52.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.8 -178.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' HIS . . . . . 0.583 ' ND1' ' CD2' ' A' ' 159' ' ' HIS . 4.8 t-80 -115.7 124.05 49.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.389 177.178 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.583 ' CD2' ' ND1' ' A' ' 158' ' ' HIS . 68.7 m-70 67.51 -109.61 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.329 -177.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -121.72 4.43 10.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.422 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -117.02 161.18 19.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.575 -177.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.401 ' HB3' HH21 ' A' ' 92' ' ' ARG . 9.0 tp -105.36 123.21 47.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.469 177.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -102.61 -43.64 5.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.882 -176.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -142.85 176.99 22.15 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.258 -0.737 . . . . 1.0 111.258 -177.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 155' ' ' PRO . 4.8 tp -145.45 129.34 17.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.687 0.279 . . . . 1.0 110.425 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 38.6 tp -101.0 140.86 34.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.621 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.4 HG11 HBB2 ' A' ' 301' ' ' CYC . 8.6 p -147.49 148.65 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.793 -179.091 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.18 144.42 44.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.381 179.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 169' ' ' HIS . . . . . 0.502 ' HB3' HG11 ' A' ' 148' ' ' VAL . 95.7 m-70 -143.34 142.4 31.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.786 178.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' HIS . . . . . 0.608 ' CG ' ' N ' ' A' ' 171' ' ' ALA . 58.1 t60 -172.48 167.82 5.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.475 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.643 ' N ' ' NH1' ' A' ' 73' ' ' ARG . . . -61.95 179.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.63 177.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -46.99 97.84 0.16 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.591 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' PRO . . . . . 0.472 ' CD ' ' O ' ' A' ' 171' ' ' ALA . 91.6 Cg_endo -97.27 32.89 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.87 2.38 . . . . 1.0 112.09 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 173' ' ' PRO . 71.6 mtt180 57.44 155.78 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.578 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -53.73 160.53 5.46 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.809 2.34 . . . . 1.0 112.056 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -114.13 139.5 49.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.634 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 23.0 t -89.67 142.07 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.601 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -63.72 -37.09 86.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.558 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -59.99 -49.7 76.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.448 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.06 -32.54 72.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.418 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 26.9 tp -57.89 -42.33 84.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.396 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -58.58 -52.57 65.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.364 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 59.7 t -42.25 -45.63 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.158 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 91.0 t -74.88 -36.96 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.092 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -47.72 -40.52 20.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.062 178.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 186' ' ' LEU . . . . . 0.492 HD12 ' N ' ' A' ' 186' ' ' LEU . 11.2 mp -73.2 -34.78 66.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.035 177.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 23.6 tp -57.19 -32.78 66.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.065 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 188' ' ' ALA . . . . . 0.425 ' O ' ' CG2' ' A' ' 191' ' ' VAL . . . -74.54 -28.18 60.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.105 178.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 189' ' ' ASP . . . . . 0.425 ' O ' ' OG ' ' A' ' 192' ' ' SER . 74.9 m-20 -71.64 -41.2 69.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.149 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -54.22 -58.0 9.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.153 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' A' ' 188' ' ' ALA . 14.0 m -52.73 -42.04 40.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.099 179.509 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 192' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 189' ' ' ASP . 3.1 p -47.14 -29.45 2.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.053 -0.522 . . . . 1.0 110.108 178.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 12.6 mm -79.5 -38.8 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.159 178.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.37 -47.92 71.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.255 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 195' ' ' ILE . . . . . 0.572 HG22 HD21 ' A' ' 35' ' ' LEU . 8.8 pt -65.51 -36.53 77.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.346 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.451 ' HB2' ' CD2' ' A' ' 158' ' ' HIS . . . -68.44 -51.97 37.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.31 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -61.38 -24.08 66.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.377 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -74.21 -36.51 63.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.397 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -56.74 -40.6 76.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.413 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 10.5 tp -61.83 -59.77 4.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.513 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 20.8 t -61.42 -47.04 87.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.511 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.534 HD23 ' C ' ' A' ' 202' ' ' LEU . 2.7 tt . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.035 -0.983 . . . . 1.0 110.558 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 301' ' ' CYC . . . . . 0.665 HBD2 ' HB2' ' A' ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.709 0.29 . . . . 1.0 110.538 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.1 p-10 -59.26 -34.27 72.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.615 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -76.57 -54.81 6.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.542 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.722 HD13 ' O ' ' A' ' 34' ' ' ILE . 0.3 OUTLIER -61.01 -31.31 49.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.575 -178.824 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.596 ' O ' HG22 ' A' ' 38' ' ' THR . 86.5 mt -78.2 -20.71 51.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.661 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 52.2 ttm-85 -70.96 -31.58 68.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.637 178.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.8 -27.3 26.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.618 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.596 HG22 ' O ' ' A' ' 35' ' ' LEU . 2.5 t -77.94 -42.52 32.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.642 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.521 ' N ' ' CG2' ' A' ' 38' ' ' THR . 11.5 p -57.77 -39.76 72.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.661 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.477 ' N ' HG13 ' A' ' 39' ' ' VAL . 25.6 pt-20 -77.27 -33.17 55.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.612 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.47 -44.74 90.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.512 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.5 t -63.82 -48.69 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.476 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.576 ' O ' ' N ' ' A' ' 47' ' ' GLY . 41.6 ttp180 -47.46 -41.35 20.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.481 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.09 -37.78 83.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.516 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -75.66 -51.22 13.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.547 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.63 ' N ' HD12 ' A' ' 46' ' ' LEU . 8.3 mp -80.23 -2.9 46.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.508 179.247 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 41.92 21.37 0.07 OUTLIER Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.997 -0.841 . . . . 1.0 110.997 178.002 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.643 ' HG1' ' CE1' ' A' ' 170' ' ' HIS . 1.2 m -73.51 138.44 45.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.78 0.324 . . . . 1.0 110.622 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.11 -40.33 64.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.573 -177.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.468 ' H ' HG22 ' A' ' 48' ' ' THR . 52.8 ttp180 -144.78 127.44 16.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.981 0.42 . . . . 1.0 111.011 -176.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.0 p -144.32 137.68 23.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.823 -0.626 . . . . 1.0 109.862 176.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.412 ' HG2' ' HZ3' ' A' ' 52' ' ' LYS . 23.8 pttm -143.67 166.1 25.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.146 0.498 . . . . 1.0 111.285 -177.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.764 HG12 ' HB3' ' A' ' 66' ' ' ALA . 9.8 p -109.51 139.24 33.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.681 -0.691 . . . . 1.0 109.81 178.31 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.651 ' HB2' HBB1 ' A' ' 301' ' ' CYC . 15.7 t80 -121.34 120.62 35.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.868 0.366 . . . . 1.0 111.198 -178.219 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -94.44 164.6 12.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.009 -0.541 . . . . 1.0 109.936 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -130.56 144.93 51.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.901 0.381 . . . . 1.0 110.911 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.421 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 14.7 t70 -116.62 135.76 23.01 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.373 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -44.68 -29.42 3.43 Favored 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.764 2.309 . . . . 1.0 112.082 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -73.94 -8.83 57.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.383 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' A' ' 84' ' ' ALA . . . 101.59 -11.14 57.93 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.781 -0.928 . . . . 1.0 110.781 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.421 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 99.7 m-70 -85.49 140.76 30.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.911 0.386 . . . . 1.0 110.704 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -132.59 154.55 21.14 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.608 -0.997 . . . . 1.0 110.608 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.457 HG22 HG22 ' A' ' 81' ' ' THR . 73.3 p -137.35 157.59 46.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.802 0.334 . . . . 1.0 110.786 -178.166 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.8 t -101.02 115.5 42.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.144 176.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.9 m -102.75 4.0 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.806 -175.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.764 ' HB3' HG12 ' A' ' 53' ' ' VAL . . . -159.12 148.47 18.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.925 0.393 . . . . 1.0 110.86 -179.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -166.76 124.94 1.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.298 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -124.85 133.04 53.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.805 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.558 ' O ' ' NH1' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -118.46 142.1 47.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.533 -179.695 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.485 ' C ' ' H ' ' A' ' 72' ' ' GLU . . . -93.22 -104.7 1.67 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.86 -0.896 . . . . 1.0 110.86 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.64 0.48 1.53 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.767 -0.933 . . . . 1.0 110.767 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.485 ' H ' ' C ' ' A' ' 70' ' ' GLY . 71.9 tt0 60.54 58.01 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.85 0.357 . . . . 1.0 110.621 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -83.03 -56.75 3.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.554 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 27.2 mt -92.95 165.39 18.77 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.552 178.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -78.48 172.01 15.93 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.831 2.354 . . . . 1.0 112.131 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.488 ' OG ' ' NH2' ' A' ' 69' ' ' ARG . 22.9 t -89.47 129.3 35.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.7 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 34.4 mt -104.49 -11.19 17.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.444 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.2 tp -42.31 137.28 2.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.582 -178.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.41 0.01 73.94 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 80' ' ' LEU . 26.8 tp -93.84 127.83 39.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.725 0.298 . . . . 1.0 110.54 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.457 HG22 HG22 ' A' ' 63' ' ' THR . 5.7 p -98.27 131.04 44.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.636 178.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 23.2 m-85 -102.61 141.37 22.37 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.478 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -78.07 144.68 21.4 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.848 2.365 . . . . 1.0 112.172 178.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 60' ' ' GLY . . . -55.49 -36.16 66.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.73 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.5 -24.48 5.52 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' A' ' 87' ' ' ILE . 50.3 p-10 -55.41 -27.2 46.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.321 . . . . 1.0 110.551 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.576 ' O ' ' O ' ' A' ' 88' ' ' PRO . 93.9 mt -124.55 98.38 37.73 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.537 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.576 ' O ' ' O ' ' A' ' 87' ' ' ILE . 86.7 Cg_exo -44.69 -116.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.836 2.358 . . . . 1.0 112.165 -179.364 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.441 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 84.2 tt0 -151.87 -59.46 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.523 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -48.6 -39.82 25.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.513 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.421 ' O ' ' CD1' ' A' ' 95' ' ' PHE . . . -65.84 -35.26 80.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.544 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -73.3 -24.74 60.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.485 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -58.57 -56.56 20.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.429 -178.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.698 ' O ' ' N ' ' A' ' 98' ' ' ALA . 43.8 mt -55.58 -40.33 71.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.537 -179.224 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.421 ' CD1' ' O ' ' A' ' 91' ' ' ALA . 4.6 m-85 -55.75 -50.15 71.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.781 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.563 ' C ' HD12 ' A' ' 97' ' ' LEU . 16.6 mmm180 -54.27 -21.85 10.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.745 176.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.563 HD12 ' C ' ' A' ' 96' ' ' ARG . 10.2 mp -107.87 -26.98 10.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.233 -178.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.698 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -91.46 -37.09 13.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.042 -0.527 . . . . 1.0 110.439 -176.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 98' ' ' ALA . 83.8 mt-30 36.63 61.43 0.84 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.41 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.416 HG13 ' O ' ' A' ' 98' ' ' ALA . 2.3 m -143.15 -42.86 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.84 177.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.635 ' NH1' HD11 ' A' ' 165' ' ' LEU . 32.5 mtt180 49.0 92.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.222 175.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 47.4 t -144.43 126.33 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.616 178.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.426 HD11 ' O1A' ' A' ' 301' ' ' CYC . 9.6 mt -108.37 128.98 63.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.721 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.68 HG22 ' N ' ' A' ' 105' ' ' ASP . 14.9 p -83.14 169.99 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.253 -179.524 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.68 ' N ' HG22 ' A' ' 104' ' ' VAL . 61.8 m-20 -51.52 121.18 5.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.452 -178.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.9 m -57.97 -10.15 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.562 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -75.85 -35.34 59.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.313 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.07 -14.56 17.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.377 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 50.66 61.96 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.731 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.9 p -85.63 136.44 33.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.432 174.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.3 ptt85 -118.91 129.4 55.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.832 -176.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.652 ' O ' HG23 ' A' ' 113' ' ' ILE . 64.1 p -116.51 159.28 22.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.217 177.229 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.652 HG23 ' O ' ' A' ' 112' ' ' SER . 12.3 pt -161.11 169.38 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.764 -178.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.7 t -74.15 173.52 10.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.67 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.467 ' N ' ' CD ' ' A' ' 115' ' ' GLN . 1.5 pm0 -160.03 150.81 15.62 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.478 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.556 ' O ' ' N ' ' A' ' 118' ' ' SER . 61.1 Cg_endo -73.62 140.43 29.61 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.79 2.327 . . . . 1.0 112.186 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 52.14 -82.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.641 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.556 ' N ' ' O ' ' A' ' 116' ' ' PRO . 42.3 t 55.48 169.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.65 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 43.88 -141.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.607 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 98.73 -12.98 62.73 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.861 -0.896 . . . . 1.0 110.861 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 39.4 mt -60.74 -40.63 93.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 1.0 110.602 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -175.02 173.49 2.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.529 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.459 ' O ' HD21 ' A' ' 97' ' ' LEU . . . -80.88 -64.83 1.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.53 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 73.4 ttt-85 -103.89 85.92 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.547 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 93.5 t -98.87 110.43 57.44 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.49 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 127' ' ' LEU . 78.7 Cg_exo -46.5 127.03 11.03 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.765 2.31 . . . . 1.0 112.122 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.646 HD12 ' N ' ' A' ' 127' ' ' LEU . 9.2 mp 38.51 -110.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.609 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 73.12 28.56 66.17 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -146.97 157.56 46.44 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.933 0.397 . . . . 1.0 110.549 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -46.31 166.9 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.855 2.37 . . . . 1.0 112.165 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.438 HD22 HE21 ' A' ' 178' ' ' GLN . 37.9 mt -71.16 -1.82 13.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.504 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -132.75 172.15 12.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.497 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.657 ' HE ' ' N ' ' A' ' 134' ' ' PRO . 0.0 OUTLIER -133.46 86.77 39.48 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.651 -178.857 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.657 ' N ' ' HE ' ' A' ' 133' ' ' ARG . 62.0 Cg_exo -48.95 142.11 20.44 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.777 2.318 . . . . 1.0 111.937 178.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.589 ' CG1' HBD1 ' A' ' 301' ' ' CYC . 3.4 t -131.96 139.03 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.543 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.542 ' N ' ' OG ' ' A' ' 112' ' ' SER . 1.0 OUTLIER -44.58 152.33 0.53 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.435 -179.156 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_exo -46.99 -9.43 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.818 2.346 . . . . 1.0 111.947 178.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.489 ' H ' ' C ' ' A' ' 136' ' ' ASP . 0.0 OUTLIER -58.68 -44.08 90.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.382 179.275 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -82.75 -24.6 33.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.257 -177.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 10.1 t -50.52 -65.54 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.532 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 145' ' ' SER . 84.0 t60 -62.77 -42.08 99.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.492 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' TYR . . . . . 0.403 ' CE1' ' OC ' ' A' ' 301' ' ' CYC . 11.4 t80 -48.92 -56.68 8.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.442 178.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.4 mp -64.32 -51.65 62.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.381 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.18 -40.96 78.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.454 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 141' ' ' HIS . 46.4 t -53.41 -29.73 36.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.465 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 23.0 mtt -89.42 -0.16 57.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.432 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 72.96 24.32 76.2 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 150' ' ' SER . 91.0 t -105.06 114.0 43.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.757 0.313 . . . . 1.0 110.707 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -79.03 -38.98 35.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.263 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.528 ' O ' ' CG1' ' A' ' 148' ' ' VAL . 86.6 p -123.17 157.3 33.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.097 -178.469 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 32.3 t -152.14 126.02 9.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.953 0.406 . . . . 1.0 111.06 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 66.1 tp -110.45 113.74 26.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.003 178.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.527 ' CG2' ' N ' ' A' ' 154' ' ' VAL . 1.0 OUTLIER -111.89 157.88 12.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.115 0.483 . . . . 1.0 111.245 -179.27 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.527 ' N ' ' CG2' ' A' ' 153' ' ' VAL . 86.9 t -155.02 119.66 2.55 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.687 -0.688 . . . . 1.0 109.975 -177.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 155' ' ' PRO . . . . . 0.454 ' HB3' ' NE ' ' A' ' 101' ' ' ARG . 78.9 Cg_endo -78.94 148.68 22.22 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.901 2.4 . . . . 1.0 112.69 -176.247 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 33.4 mt -118.35 95.47 4.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.246 177.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 17.6 ptm -107.56 135.06 49.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.679 -176.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' HIS . . . . . 0.532 ' CE1' ' CB ' ' A' ' 196' ' ' ALA . 10.2 t60 -113.98 121.78 44.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.395 176.587 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.486 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 48.0 t-80 73.51 -110.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.38 -177.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -122.41 -0.21 9.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.468 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -114.94 164.74 13.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.583 -177.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.606 HD12 ' N ' ' A' ' 162' ' ' LEU . 7.3 mp -104.81 123.17 47.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.438 178.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 163' ' ' TRP . . . . . 0.469 ' CE3' ' OE2' ' A' ' 199' ' ' GLU . 91.3 m95 -104.33 -41.7 5.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.887 -177.564 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -138.71 176.52 20.81 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.258 -0.737 . . . . 1.0 111.258 -177.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' LEU . . . . . 0.635 HD11 ' NH1' ' A' ' 101' ' ' ARG . 2.9 tp -148.8 130.03 14.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.76 0.314 . . . . 1.0 110.348 -179.551 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 32.8 tp -99.24 137.09 38.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.624 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.637 HG21 ' OB ' ' A' ' 301' ' ' CYC . 11.4 p -140.36 140.6 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.739 -178.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 4.1 m -125.84 143.33 51.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.384 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' HIS . . . . . 0.401 ' HB3' HG21 ' A' ' 148' ' ' VAL . 78.1 m-70 -136.09 136.63 40.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.716 -178.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 170' ' ' HIS . . . . . 0.643 ' CE1' ' HG1' ' A' ' 48' ' ' THR . 1.1 p-80 -174.22 168.87 3.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.492 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 170' ' ' HIS . . . -55.32 -163.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.633 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -116.11 84.96 14.46 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.661 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -80.69 -62.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.848 2.365 . . . . 1.0 112.026 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -158.69 151.86 18.67 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.574 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -48.75 172.6 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.789 2.326 . . . . 1.0 112.07 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -108.5 116.34 31.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.643 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 18.3 t -67.45 140.05 57.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.552 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 178' ' ' GLN . . . . . 0.438 HE21 HD22 ' A' ' 131' ' ' LEU . 94.0 mt-30 -63.8 -40.86 97.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.507 -179.141 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.96 -62.89 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.427 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 39.5 mp0 -60.49 -31.24 70.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.395 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 27.6 tp -58.04 -36.31 72.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.393 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -67.12 -50.16 62.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.412 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 56.3 t -42.57 -51.83 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.131 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 26.7 m -73.59 -36.59 47.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.993 -0.548 . . . . 1.0 110.174 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -48.26 -39.19 20.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.095 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 21.6 tp -71.78 -34.92 69.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.071 178.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 14.9 tp -55.85 -31.52 62.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.034 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -73.92 -38.12 64.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.036 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -57.88 -41.74 83.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.197 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -52.93 -53.82 43.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.081 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 93.7 t -55.75 -42.45 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.097 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 3.1 m -50.3 -34.07 22.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.134 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.7 -35.5 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.103 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -67.99 -46.24 71.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.275 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 15.5 tt -65.4 -30.51 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.233 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.532 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.5 -55.73 5.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.409 179.358 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -59.3 -25.22 63.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.337 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -73.66 -39.15 64.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.48 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 199' ' ' GLU . . . . . 0.469 ' OE2' ' CE3' ' A' ' 163' ' ' TRP . 84.9 mt-10 -51.36 -37.47 48.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.376 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 200' ' ' LEU . . . . . 0.611 ' N ' HD12 ' A' ' 200' ' ' LEU . 9.8 mp -57.15 -60.05 4.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.479 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 88.9 p -55.29 -43.26 74.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.534 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.522 ' N ' HD12 ' A' ' 202' ' ' LEU . 10.6 mp . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.958 -1.02 . . . . 1.0 110.591 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 301' ' ' CYC . . . . . 0.651 HBB1 ' HB2' ' A' ' 54' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.1 tt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.849 0.357 . . . . 1.0 110.597 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.456 ' OD1' HG11 ' A' ' 65' ' ' VAL . 69.1 m-20 -62.58 -36.34 82.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.575 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -74.13 -53.83 9.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.53 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.9 mm -51.59 -54.12 13.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.591 -178.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 39' ' ' VAL . 29.4 mt -57.19 -32.56 66.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.612 -177.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.5 ttt-85 -50.13 -40.3 45.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.559 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.88 -27.16 43.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.599 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.6 p -71.31 -44.71 64.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.707 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.57 HG21 ' HB3' ' A' ' 66' ' ' ALA . 42.0 t -58.33 -38.25 68.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.653 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -70.67 -41.71 71.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.542 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.36 -41.34 93.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.452 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.6 t -66.34 -55.72 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.509 -178.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.594 ' O ' ' N ' ' A' ' 47' ' ' GLY . 5.0 ttp180 -48.73 -43.03 37.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.553 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.28 -33.31 67.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.555 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -78.72 -46.53 18.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.542 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.512 ' CB ' HG23 ' A' ' 48' ' ' THR . 71.8 mt -80.4 -9.45 59.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.519 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.594 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 51.42 25.47 12.88 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.951 -0.86 . . . . 1.0 110.951 177.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.626 ' OG1' HG23 ' A' ' 51' ' ' VAL . 43.4 p -76.31 136.51 39.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 1.0 110.581 178.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -55.87 -31.37 62.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.62 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.5 ' NH1' ' O ' ' A' ' 74' ' ' LEU . 2.3 ttm105 -148.09 125.69 11.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.936 0.398 . . . . 1.0 111.073 -177.35 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.626 HG23 ' OG1' ' A' ' 48' ' ' THR . 2.1 t -144.25 135.79 21.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.89 -0.595 . . . . 1.0 109.792 175.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -144.97 161.18 40.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.015 0.436 . . . . 1.0 111.242 -177.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.8 p -103.61 139.15 25.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.662 -0.699 . . . . 1.0 109.851 177.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.755 ' HB2' HBB1 ' A' ' 301' ' ' CYC . 21.5 t80 -123.78 121.26 34.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.876 0.37 . . . . 1.0 111.191 -177.476 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.0 ttt-85 -95.32 163.19 13.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.972 -0.558 . . . . 1.0 109.944 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.553 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 84.2 t80 -129.61 146.27 51.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.939 0.4 . . . . 1.0 110.873 -178.038 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.553 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 1.9 m-20 -116.42 162.57 25.85 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.299 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -72.67 -24.68 18.19 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.729 2.286 . . . . 1.0 112.065 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -77.58 -6.67 54.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.372 -178.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.25 20.25 30.73 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.862 -0.895 . . . . 1.0 110.862 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.421 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 76.4 m80 -116.81 141.41 48.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 1.0 110.707 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.411 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -135.64 157.43 23.26 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.624 -0.991 . . . . 1.0 110.624 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 67.8 p -140.26 159.35 42.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.832 0.349 . . . . 1.0 110.728 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.6 t -99.68 117.34 44.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.169 176.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.456 HG11 ' OD1' ' A' ' 32' ' ' ASP . 30.4 m -103.21 2.0 10.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.828 -175.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.57 ' HB3' HG21 ' A' ' 39' ' ' VAL . . . -164.87 155.57 14.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.919 0.39 . . . . 1.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.445 ' OE2' ' NE ' ' A' ' 50' ' ' ARG . 66.4 tt0 -165.77 124.8 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.215 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -120.82 146.0 46.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.81 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.526 ' O ' ' NH1' ' A' ' 43' ' ' ARG . 35.6 ptt85 -144.28 145.51 32.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.481 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -96.57 3.49 63.32 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.521 ' O ' ' NH1' ' A' ' 69' ' ' ARG . . . -159.46 -124.9 0.77 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.749 -0.94 . . . . 1.0 110.749 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -173.8 49.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.8 0.333 . . . . 1.0 110.533 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.419 ' NH1' ' HB2' ' A' ' 171' ' ' ALA . 38.2 ttm180 -81.13 -57.33 3.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.502 178.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.5 ' O ' ' NH1' ' A' ' 50' ' ' ARG . 30.6 mt -93.93 148.1 34.66 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.546 177.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.407 ' O ' ' CZ ' ' A' ' 50' ' ' ARG . 27.7 Cg_endo -62.98 165.59 16.2 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.778 2.319 . . . . 1.0 112.154 -179.173 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 31.1 t -87.11 127.73 35.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.67 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 34.8 mt -102.55 -1.39 30.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.433 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 50.3 tp -54.32 136.35 43.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.528 -178.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.41 -0.19 77.43 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.846 -0.902 . . . . 1.0 110.846 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.815 HD23 ' N ' ' A' ' 81' ' ' THR . 4.1 tt -94.96 129.93 41.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.35 . . . . 1.0 110.55 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.815 ' N ' HD23 ' A' ' 80' ' ' LEU . 9.8 t -95.44 127.48 41.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.676 178.219 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 28.4 m-85 -101.72 148.64 35.56 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.476 -179.096 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.83 146.06 14.57 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.865 2.376 . . . . 1.0 112.167 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.37 -35.58 76.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.583 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.68 -23.7 7.0 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.993 -0.843 . . . . 1.0 110.993 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.665 ' OD2' HMB3 ' A' ' 301' ' ' CYC . 51.3 t0 -56.52 -31.46 64.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 1.0 110.577 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.475 ' O ' ' O ' ' A' ' 88' ' ' PRO . 7.1 mt -127.23 89.05 52.69 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.609 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.475 ' O ' ' O ' ' A' ' 87' ' ' ILE . 63.1 Cg_exo -33.83 -101.1 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.867 2.378 . . . . 1.0 112.179 -178.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.427 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 82.1 tt0 -169.06 -32.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.566 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -64.57 -38.84 92.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.555 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.554 ' HB1' ' O1A' ' A' ' 301' ' ' CYC . . . -65.0 -33.19 75.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.524 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -70.19 -23.13 62.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.453 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.576 ' O ' ' N ' ' A' ' 97' ' ' LEU . 94.0 mtt180 -56.43 -57.83 10.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.444 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.536 ' O ' ' N ' ' A' ' 98' ' ' ALA . 21.4 mt -54.92 -37.45 66.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.504 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.637 ' CZ ' HBA1 ' A' ' 301' ' ' CYC . 8.0 m-85 -65.14 -42.09 94.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.756 178.486 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 45.8 mtm-85 -86.6 -17.09 34.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.71 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.576 ' N ' ' O ' ' A' ' 93' ' ' ARG . 22.8 tp -102.1 -51.63 3.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.277 -176.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -102.61 -10.79 18.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.442 -176.16 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.487 ' C ' ' O ' ' A' ' 98' ' ' ALA . 89.7 mt-30 34.99 63.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.338 178.307 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.632 ' C ' ' HE ' ' A' ' 101' ' ' ARG . 15.4 t -107.21 -50.8 7.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.781 176.665 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.632 ' HE ' ' C ' ' A' ' 100' ' ' VAL . 0.2 OUTLIER 56.45 64.23 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.284 173.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.65 ' C ' HD12 ' A' ' 103' ' ' ILE . 12.3 p -146.04 124.26 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.62 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.65 HD12 ' C ' ' A' ' 102' ' ' VAL . 1.7 mp -111.19 132.91 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.778 178.01 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -83.64 171.42 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.335 -178.313 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -50.69 120.33 4.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.458 -178.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 15.6 m -57.07 -8.28 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.547 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -78.22 -31.52 49.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.342 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.57 -12.61 6.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.362 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 48.53 60.24 3.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.678 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.14 140.67 29.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.37 175.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 83.0 mtm-85 -122.57 128.99 51.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.855 -177.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.2 t -138.69 116.66 11.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.234 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.424 HG22 ' H ' ' A' ' 114' ' ' SER . 0.2 OUTLIER -119.45 -166.83 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.769 -179.775 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.424 ' H ' HG22 ' A' ' 113' ' ' ILE . 79.1 p -76.07 172.87 12.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.679 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -173.9 130.65 0.52 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.491 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -38.65 109.24 0.08 OUTLIER 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.859 2.372 . . . . 1.0 112.137 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.528 ' OE1' ' NE1' ' A' ' 119' ' ' TRP . 3.1 pp20? -166.24 174.75 8.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.587 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.455 ' N ' ' OE1' ' A' ' 117' ' ' GLU . 77.3 p -148.25 166.55 27.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.644 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.528 ' NE1' ' OE1' ' A' ' 117' ' ' GLU . 90.4 m95 -141.76 -166.66 2.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.59 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 95.0 15.72 44.1 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 31.3 mt -83.43 139.57 32.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.77 0.319 . . . . 1.0 110.546 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 71.0 m -79.79 -7.64 58.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.536 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.57 -40.64 95.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.54 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 7.8 tpp85 60.6 88.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.58 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.43 HG22 ' H ' ' A' ' 125' ' ' VAL . 2.0 m -82.07 117.37 68.11 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.574 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -77.63 134.72 13.92 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.829 2.352 . . . . 1.0 112.062 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.654 HD12 ' N ' ' A' ' 127' ' ' LEU . 8.5 mp 40.73 -114.05 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.592 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 68.98 25.74 75.18 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -135.72 160.06 69.0 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.979 0.418 . . . . 1.0 110.551 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.528 ' O ' ' NH2' ' A' ' 133' ' ' ARG . 89.1 Cg_exo -45.26 166.16 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.863 2.375 . . . . 1.0 112.231 178.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 35.4 mt -79.86 4.61 16.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.44 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -139.04 162.59 34.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.503 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.607 ' CA ' ' HE ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -114.81 105.26 53.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.665 -179.287 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -80.05 140.96 14.51 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.725 2.284 . . . . 1.0 112.02 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.867 HG21 ' ND1' ' A' ' 139' ' ' HIS . 18.1 m -132.27 142.13 43.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.509 -178.585 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -40.15 155.77 0.18 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.451 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.728 ' O ' HG22 ' A' ' 140' ' ' VAL . 15.9 Cg_endo -58.73 -49.18 12.3 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.774 2.316 . . . . 1.0 111.888 -178.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.539 ' SG ' ' HHD' ' A' ' 301' ' ' CYC . 0.5 OUTLIER -47.21 -18.89 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.388 -179.375 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.867 ' ND1' HG21 ' A' ' 135' ' ' VAL . 42.9 t-80 -90.87 -49.48 6.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.265 177.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 137' ' ' PRO . 2.4 m -54.16 -42.76 57.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.969 -0.559 . . . . 1.0 110.54 -178.318 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.513 ' N ' ' CG2' ' A' ' 140' ' ' VAL . 86.2 t60 -67.51 -42.78 82.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.492 177.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' TYR . . . . . 0.428 ' CE2' ' CE ' ' A' ' 146' ' ' MET . 39.5 t80 -46.98 -43.4 19.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.414 178.288 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.411 ' N ' HD12 ' A' ' 143' ' ' LEU . 11.0 mp -69.25 -48.18 62.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.419 177.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -57.54 -39.67 77.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.46 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 29.0 m -52.59 -28.28 20.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.506 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.428 ' CE ' ' CE2' ' A' ' 142' ' ' TYR . 28.0 mtt -93.07 1.31 57.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.465 177.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 70.87 22.06 78.23 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.931 -0.867 . . . . 1.0 110.931 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.623 HG21 ' HB3' ' A' ' 169' ' ' HIS . 81.2 t -107.24 113.71 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.72 0.295 . . . . 1.0 110.753 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -91.17 -22.14 20.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.197 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.438 ' O ' ' CG1' ' A' ' 148' ' ' VAL . 24.9 t -110.69 136.18 50.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.192 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 2.2 t -142.62 120.88 12.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.914 0.388 . . . . 1.0 111.11 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 19.6 tp -118.88 135.95 54.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.998 -0.546 . . . . 1.0 109.994 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.435 ' C ' HG23 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -127.12 154.18 37.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.123 0.487 . . . . 1.0 111.195 -178.863 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.435 HG23 ' C ' ' A' ' 153' ' ' VAL . 93.9 t -156.28 79.34 4.01 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.687 -0.688 . . . . 1.0 109.973 -179.23 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 155' ' ' PRO . . . . . 0.43 ' HA ' HD12 ' A' ' 165' ' ' LEU . 52.7 Cg_exo -51.31 154.26 8.51 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.993 2.462 . . . . 1.0 112.676 -176.622 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 31.5 mt -117.52 96.72 5.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.859 -0.61 . . . . 1.0 110.195 178.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 20.8 ptm -108.12 136.69 47.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.741 -177.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' HIS . . . . . 0.509 ' CE1' ' CB ' ' A' ' 196' ' ' ALA . 38.1 t60 -111.25 124.0 51.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.43 176.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.448 ' CE1' ' NE2' ' A' ' 158' ' ' HIS . 5.8 m-70 63.77 -103.31 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.447 -177.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -123.86 -0.11 8.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.411 -178.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -111.4 160.09 17.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.516 -176.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 6.0 tt -107.29 122.33 46.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.401 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' TRP . . . . . 0.4 ' NE1' ' HB3' ' A' ' 158' ' ' HIS . 93.8 m95 -103.36 -39.37 6.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.921 -176.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -140.73 176.66 21.36 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.226 -0.749 . . . . 1.0 111.226 -177.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 155' ' ' PRO . 26.7 tp -146.4 129.1 16.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.768 0.318 . . . . 1.0 110.405 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 5.8 tp -99.71 142.56 31.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.615 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.549 HG11 ' OB ' ' A' ' 301' ' ' CYC . 9.0 p -151.29 142.28 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.693 -178.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.504 ' O ' ' ND1' ' A' ' 169' ' ' HIS . 13.2 p -126.99 146.16 50.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.417 178.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 169' ' ' HIS . . . . . 0.623 ' HB3' HG21 ' A' ' 148' ' ' VAL . 9.7 m80 -142.5 134.55 27.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.78 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -172.59 169.87 4.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.518 -178.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.419 ' HB2' ' NH1' ' A' ' 73' ' ' ARG . . . -54.58 -171.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.622 179.162 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -115.84 86.34 16.03 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.6 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -81.44 -59.95 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.881 2.388 . . . . 1.0 112.061 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -153.73 152.07 26.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.532 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -50.02 168.96 0.15 Allowed 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.711 2.274 . . . . 1.0 112.062 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -113.43 142.12 46.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.581 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 31.8 t -90.37 131.82 35.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.56 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -67.14 -39.59 86.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.505 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -60.6 -59.29 5.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.431 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -59.45 -34.08 72.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.471 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 27.5 tp -60.74 -38.39 85.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.451 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.526 ' NE2' ' OE1' ' A' ' 185' ' ' GLN . 60.2 tp60 -56.84 -53.98 51.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.284 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 97.6 t -43.42 -42.03 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.148 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 184' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 187' ' ' LEU . 90.2 t -72.65 -38.93 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.164 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.526 ' OE1' ' NE2' ' A' ' 182' ' ' GLN . 56.0 tt0 -46.27 -36.99 6.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.082 178.105 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 186' ' ' LEU . . . . . 0.516 HD12 ' N ' ' A' ' 186' ' ' LEU . 9.9 mp -69.31 -36.35 76.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.006 177.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 187' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 187' ' ' LEU . 1.1 tt -55.24 -31.2 61.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.079 178.272 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -73.82 -38.91 64.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.079 178.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -57.02 -41.39 78.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.243 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 190' ' ' GLN . . . . . 0.592 ' O ' HG22 ' A' ' 193' ' ' ILE . 97.6 mm-40 -53.26 -55.82 21.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.152 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 194' ' ' ALA . 82.4 t -53.76 -40.36 43.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.131 178.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 3.5 p -47.1 -29.59 2.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.078 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 193' ' ' ILE . . . . . 0.592 HG22 ' O ' ' A' ' 190' ' ' GLN . 3.3 tt -80.07 -33.24 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.082 179.033 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 194' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 191' ' ' VAL . . . -72.28 -47.48 49.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.248 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 195' ' ' ILE . . . . . 0.435 HG23 ' N ' ' A' ' 196' ' ' ALA . 21.0 tt -63.18 -37.9 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.257 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.509 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.32 -53.85 8.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.413 179.114 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -59.67 -26.85 65.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.379 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 198' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 194' ' ' ALA . . . -73.95 -38.4 64.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.432 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -52.98 -36.62 60.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.358 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 38.9 mt -62.02 -57.21 12.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.449 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 19.6 m -55.39 -43.49 75.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.46 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.59 ' N ' HD12 ' A' ' 202' ' ' LEU . 10.3 mp . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.962 -1.018 . . . . 1.0 110.539 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 301' ' ' CYC . . . . . 0.755 HBB1 ' HB2' ' A' ' 54' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.0 tp . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.769 0.319 . . . . 1.0 110.575 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 33' ' ' GLN . 31.3 p-10 -66.42 -33.31 75.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.574 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.407 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 96.2 mt-30 -76.94 -54.61 6.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.586 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.722 HD13 ' O ' ' A' ' 34' ' ' ILE . 0.3 OUTLIER -56.9 -35.07 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.544 -178.484 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' A' ' 35' ' ' LEU . 79.3 mt -74.64 -27.81 60.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.655 -179.334 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -56.96 -35.02 68.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.602 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.47 -26.38 32.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.644 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 34' ' ' ILE . 68.5 p -73.49 -47.31 42.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.633 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 40' ' ' GLU . 7.6 p -58.7 -35.92 57.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.682 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.409 ' N ' HG13 ' A' ' 39' ' ' VAL . 94.6 mt-10 -74.87 -45.13 45.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.576 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -60.62 -39.97 90.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.489 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.0 t -65.58 -55.77 18.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.526 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.574 ' O ' ' N ' ' A' ' 47' ' ' GLY . 9.3 tmm_? -51.67 -41.52 61.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.499 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.2 80.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.552 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -80.02 -48.15 13.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.551 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.0 mt -79.62 -8.15 59.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.567 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 39.5 66.96 0.66 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.994 -0.842 . . . . 1.0 110.994 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.5 ' HB ' ' ND1' ' A' ' 170' ' ' HIS . 0.1 OUTLIER -119.37 139.96 51.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.879 0.371 . . . . 1.0 110.61 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.595 ' CG ' ' HE ' ' A' ' 73' ' ' ARG . 74.5 m-20 -47.74 -37.41 13.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.614 -176.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -149.16 130.02 14.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.967 0.413 . . . . 1.0 111.011 -177.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.475 HG23 ' OG1' ' A' ' 48' ' ' THR . 45.3 t -140.56 131.25 28.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.846 -0.615 . . . . 1.0 109.817 175.114 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -145.55 151.84 38.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.099 0.476 . . . . 1.0 111.234 -177.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 90.1 t -98.1 138.39 22.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.699 -0.682 . . . . 1.0 109.856 177.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -122.47 120.13 32.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 1.0 111.146 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.1 mtm180 -95.97 166.3 11.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.0 -0.546 . . . . 1.0 109.932 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.523 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 82.3 t80 -130.48 146.67 52.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.959 0.409 . . . . 1.0 110.89 -178.205 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.523 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 22.7 m-20 -116.95 148.5 42.32 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.291 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.76 -25.12 74.68 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.682 2.255 . . . . 1.0 112.038 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -77.34 -4.94 47.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.413 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.32 21.45 32.28 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.416 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 79.0 m80 -117.84 141.99 47.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 1.0 110.777 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -133.54 154.94 21.49 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.622 -0.991 . . . . 1.0 110.622 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.0 p -135.12 156.29 49.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.781 0.324 . . . . 1.0 110.746 -178.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.4 t -96.73 113.49 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.184 176.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.4 p -103.57 1.58 10.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.804 -175.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -162.31 149.56 13.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.375 . . . . 1.0 110.909 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.473 ' CD ' ' O ' ' A' ' 67' ' ' GLU . 2.0 pp20? -164.94 125.89 2.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.277 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -124.25 149.39 46.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.764 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.527 ' NH1' ' O ' ' A' ' 71' ' ' GLY . 36.4 ptt85 -146.28 148.13 32.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.02 -0.537 . . . . 1.0 110.509 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.92 -19.15 25.11 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.527 ' O ' ' NH1' ' A' ' 69' ' ' ARG . . . -130.28 -127.69 2.93 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.743 -0.943 . . . . 1.0 110.743 178.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -174.04 62.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.776 0.322 . . . . 1.0 110.618 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.595 ' HE ' ' CG ' ' A' ' 49' ' ' ASP . 8.6 ptp180 -91.91 -16.51 26.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.559 177.587 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.2 mt -134.36 164.15 46.1 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.477 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -81.63 174.84 10.04 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.705 2.27 . . . . 1.0 112.111 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.9 p -88.64 130.85 35.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.665 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.0 mt -102.38 -11.29 18.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.476 -178.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.2 tp -42.87 134.07 3.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.545 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.26 -1.44 79.75 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.419 HD23 ' CZ ' ' A' ' 82' ' ' PHE . 34.9 tp -94.55 127.92 40.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.789 0.328 . . . . 1.0 110.554 -179.36 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.451 ' O ' HG23 ' A' ' 81' ' ' THR . 10.1 t -96.98 128.46 43.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.636 178.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.419 ' CZ ' HD23 ' A' ' 80' ' ' LEU . 22.6 m-85 -99.4 140.75 21.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.533 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -75.53 139.57 23.09 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.818 2.345 . . . . 1.0 112.188 178.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.38 -33.23 65.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.605 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.69 -24.91 6.27 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.026 -0.83 . . . . 1.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -55.46 -31.42 61.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 1.0 110.607 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 8.3 mt -133.98 90.0 27.82 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.499 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.477 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 79.7 Cg_exo -37.72 -94.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.885 2.39 . . . . 1.0 112.079 -178.219 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.477 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 83.1 tt0 -170.08 -49.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.579 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -48.09 -38.6 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.588 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.455 ' O ' ' CD2' ' A' ' 95' ' ' PHE . . . -66.7 -41.25 88.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.57 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -60.14 -22.58 63.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.555 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 58.9 mtp85 -68.04 -52.58 33.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.502 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.634 HD12 ' N ' ' A' ' 94' ' ' LEU . 9.1 mp -44.6 -55.41 5.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.422 -178.479 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.566 ' O ' ' N ' ' A' ' 99' ' ' GLN . 9.2 m-85 -66.85 -30.16 70.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.765 -178.291 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.501 ' C ' HD12 ' A' ' 97' ' ' LEU . 28.3 ttp180 -63.94 -25.48 68.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.697 175.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.501 HD12 ' C ' ' A' ' 96' ' ' ARG . 11.0 mp -107.43 -31.18 8.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.213 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.684 ' CB ' HH12 ' A' ' 133' ' ' ARG . . . -94.59 -30.28 14.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.376 -177.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.566 ' N ' ' O ' ' A' ' 95' ' ' PHE . 91.4 mt-30 38.32 66.09 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.341 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.6 m -136.4 -42.79 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.77 177.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.786 ' HB3' HG13 ' A' ' 153' ' ' VAL . 24.4 mmt180 53.09 82.1 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.383 -0.372 . . . . 1.0 110.231 176.363 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.651 ' C ' HD12 ' A' ' 103' ' ' ILE . 34.2 m -146.94 122.7 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.605 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.698 HD12 ' N ' ' A' ' 103' ' ' ILE . 1.9 mp -109.33 136.42 45.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.701 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.8 m -81.81 171.71 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.297 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.401 ' OD1' ' OE2' ' A' ' 172' ' ' GLU . 0.3 OUTLIER -47.04 118.35 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.478 -178.485 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.9 m -58.29 -11.23 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.495 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.426 ' H ' ' HG2' ' A' ' 107' ' ' GLU . 15.4 pt-20 -79.98 -28.15 39.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.362 179.295 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.05 -12.7 8.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.378 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 50.62 61.69 3.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.667 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.8 p -86.1 139.47 31.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.367 175.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -122.26 129.32 52.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.822 -177.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.504 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 6.4 t -141.62 117.16 10.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.268 177.515 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.666 ' H ' HD12 ' A' ' 113' ' ' ILE . 0.2 OUTLIER -122.65 -163.46 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.732 -179.369 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.612 ' H ' HG22 ' A' ' 113' ' ' ILE . 60.5 p -77.21 169.63 17.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.654 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -173.76 68.16 0.33 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.528 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_exo -48.43 108.94 0.21 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.801 2.334 . . . . 1.0 112.205 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -172.53 -127.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.636 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.574 ' O ' HD21 ' A' ' 121' ' ' LEU . 48.9 p -82.98 -0.51 49.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.614 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -75.08 142.86 43.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.558 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 79.71 53.42 4.31 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.574 HD21 ' O ' ' A' ' 118' ' ' SER . 63.5 mt -81.34 140.31 34.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.852 0.358 . . . . 1.0 110.56 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 53.0 p -78.74 -3.1 42.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.538 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.15 -24.42 66.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.567 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 64.15 51.46 2.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.592 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 27.5 m -72.57 141.86 83.18 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.539 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.07 127.29 12.65 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.811 2.341 . . . . 1.0 112.02 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 7.5 tp 39.63 -118.49 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.639 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 75.98 26.97 63.28 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -135.53 170.75 10.29 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 120.914 0.388 . . . . 1.0 110.578 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_exo -49.63 155.07 4.0 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.873 2.382 . . . . 1.0 112.103 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.665 ' N ' HD12 ' A' ' 131' ' ' LEU . 8.7 mp -71.45 -3.78 22.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.496 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -133.4 158.29 43.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.423 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.684 HH12 ' CB ' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -115.66 108.56 46.83 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.725 -179.581 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -80.25 144.39 16.38 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.718 2.279 . . . . 1.0 111.977 178.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.522 HG21 ' ND1' ' A' ' 139' ' ' HIS . 34.6 m -126.44 136.19 61.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.577 -179.027 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.678 ' OD2' HMD1 ' A' ' 301' ' ' CYC . 0.1 OUTLIER -44.23 157.5 0.29 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.502 179.244 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.66 -30.13 82.5 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.819 2.346 . . . . 1.0 111.924 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.707 ' CA ' HBC1 ' A' ' 301' ' ' CYC . 0.0 OUTLIER -53.22 -39.26 63.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.353 179.452 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.522 ' ND1' HG21 ' A' ' 135' ' ' VAL . 48.0 t-80 -81.79 -36.92 27.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.275 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 65.2 t -49.98 -55.06 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.494 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -64.83 -39.15 93.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.436 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -45.47 -49.77 13.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.499 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.486 HD11 ' CE1' ' A' ' 139' ' ' HIS . 76.9 mt -67.16 -51.03 58.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.4 178.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -53.71 -39.82 65.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.414 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.9 t -55.08 -28.1 49.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.59 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 23.3 mtt -89.34 0.29 56.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.464 177.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 69.96 25.39 75.65 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 178.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.641 HG13 ' O ' ' A' ' 148' ' ' VAL . 6.2 p -110.03 119.69 59.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.766 0.317 . . . . 1.0 110.668 179.168 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -82.57 -33.57 28.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.241 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.603 ' O ' HG22 ' A' ' 148' ' ' VAL . 73.8 m -110.16 146.65 35.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.152 -178.475 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.09 106.0 5.42 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.806 -0.357 . . . . 1.0 111.103 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 22.7 tp -101.94 117.01 33.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.05 -0.523 . . . . 1.0 109.972 178.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.786 HG13 ' HB3' ' A' ' 101' ' ' ARG . 2.4 p -128.57 158.38 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.282 -178.111 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.496 ' N ' ' CG2' ' A' ' 153' ' ' VAL . 10.6 t -150.34 137.09 11.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.649 -0.705 . . . . 1.0 109.926 -178.253 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -94.1 148.77 2.05 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.941 2.427 . . . . 1.0 112.693 -175.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 32.8 mt -117.67 98.05 6.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.196 178.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 41.5 mtp -108.24 124.45 50.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.768 -178.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' HIS . . . . . 0.635 ' ND1' ' NE2' ' A' ' 159' ' ' HIS . 4.4 t-80 -109.58 124.34 50.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.425 176.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.635 ' NE2' ' ND1' ' A' ' 158' ' ' HIS . 70.8 m-70 68.47 -112.09 0.12 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.452 -177.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -121.06 0.93 10.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.455 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -117.55 166.78 11.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.54 -177.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 5.9 tt -104.42 121.18 42.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.467 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' TRP . . . . . 0.425 ' CD1' ' HB3' ' A' ' 158' ' ' HIS . 59.7 m95 -103.1 -43.47 5.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.849 -176.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -136.95 176.64 20.32 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.28 -0.728 . . . . 1.0 111.28 -177.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.3 tp -150.0 125.37 10.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.744 0.307 . . . . 1.0 110.477 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.433 ' O ' ' O ' ' A' ' 154' ' ' VAL . 60.4 tp -99.14 135.9 39.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.561 178.319 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 14.8 p -142.59 146.46 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.672 -178.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 46.7 t -135.43 146.1 47.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.364 178.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -139.18 140.43 37.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.794 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 170' ' ' HIS . . . . . 0.5 ' ND1' ' HB ' ' A' ' 48' ' ' THR . 1.3 p-80 -172.43 168.97 5.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.496 -178.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -53.8 -172.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.621 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' GLU . . . . . 0.401 ' OE2' ' OD1' ' A' ' 105' ' ' ASP . 45.7 tt0 -120.33 80.47 29.08 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.6 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -84.47 -42.36 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.857 2.371 . . . . 1.0 112.171 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -154.5 154.11 28.93 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.575 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -68.28 178.46 3.65 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.826 2.351 . . . . 1.0 112.04 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -113.89 132.26 55.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.575 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 25.7 t -82.66 143.41 30.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.527 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -66.47 -42.11 88.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.465 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -60.79 -54.44 45.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.496 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -65.6 -29.08 69.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.421 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 31.5 tp -60.4 -31.25 70.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.386 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -71.01 -52.45 19.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.342 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 61.8 t -42.95 -48.68 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.152 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 184' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 187' ' ' LEU . 31.3 m -73.85 -37.24 47.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.217 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -47.05 -37.29 9.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.081 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 59.3 mt -73.08 -33.11 65.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.062 178.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 187' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 184' ' ' VAL . 9.7 tp -56.47 -32.69 65.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.019 178.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -74.26 -38.65 63.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.076 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -56.36 -41.25 75.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.149 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -54.32 -54.14 44.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.174 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 94.9 t -54.93 -44.31 72.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.116 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 6.4 t -48.56 -34.19 11.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.137 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 70.0 mt -79.48 -32.7 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.171 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -68.03 -44.54 76.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.266 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 12.5 tt -65.19 -32.49 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.231 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.509 ' HB2' ' CD2' ' A' ' 158' ' ' HIS . . . -76.3 -57.54 3.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.402 178.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -55.33 -26.62 41.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.385 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -75.3 -36.18 61.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.432 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -49.57 -36.63 24.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.443 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 42.6 mt -53.0 -60.82 2.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.493 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 27.8 m -49.02 -39.62 27.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.445 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.584 ' N ' HD12 ' A' ' 202' ' ' LEU . 10.2 mp . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.952 -1.023 . . . . 1.0 110.557 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 301' ' ' CYC . . . . . 0.707 HBC1 ' CA ' ' A' ' 138' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 22.1 tp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.848 0.356 . . . . 1.0 110.537 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -68.83 -31.54 70.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.598 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -78.04 -52.24 9.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.586 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.2 tp -62.66 -29.3 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.534 -178.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.457 ' O ' HG22 ' A' ' 38' ' ' THR . 82.6 mt -79.48 -22.73 43.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.619 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -76.21 -39.72 53.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.529 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.86 -34.3 45.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.608 -177.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.532 ' CG2' ' N ' ' A' ' 39' ' ' VAL . 4.3 t -65.92 -43.91 86.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.636 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.532 ' N ' ' CG2' ' A' ' 38' ' ' THR . 10.7 t -57.08 -36.83 52.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.68 178.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.06 -35.67 79.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.581 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -65.92 -41.84 90.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.513 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.1 t -61.55 -41.5 90.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.543 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.574 ' O ' ' N ' ' A' ' 47' ' ' GLY . 1.2 tmm_? -58.86 -51.96 67.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.537 179.369 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.452 ' N ' ' HE ' ' A' ' 43' ' ' ARG . . . -59.47 -41.12 89.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.505 -179.234 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -75.22 -53.9 8.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.569 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.54 ' O ' ' N ' ' A' ' 48' ' ' THR . 1.3 tp -77.67 -3.21 39.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.54 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 42.47 19.13 0.05 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 178.315 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.54 ' N ' ' O ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -73.13 139.04 46.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.825 0.345 . . . . 1.0 110.634 179.816 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.49 ' OD2' ' CZ ' ' A' ' 73' ' ' ARG . 72.2 m-20 -53.8 -37.13 63.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.63 -177.085 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.496 ' NH2' ' SD ' ' A' ' 146' ' ' MET . 60.2 ttp180 -146.38 128.58 15.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.957 0.408 . . . . 1.0 111.045 -176.224 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.427 HG13 HG21 ' A' ' 48' ' ' THR . 0.0 OUTLIER -141.15 134.64 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.822 -0.626 . . . . 1.0 109.853 175.415 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -145.32 153.51 41.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.032 0.444 . . . . 1.0 111.241 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.491 HG23 ' CG2' ' A' ' 39' ' ' VAL . 30.8 t -96.29 136.31 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.697 -0.683 . . . . 1.0 109.841 177.094 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.712 ' HB2' HBB1 ' A' ' 301' ' ' CYC . 25.7 t80 -117.81 117.0 28.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.845 0.355 . . . . 1.0 111.2 -178.084 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.434 ' NE ' HG11 ' A' ' 65' ' ' VAL . 56.8 mtm180 -95.43 163.06 13.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.994 -0.548 . . . . 1.0 109.892 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.53 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 85.1 t80 -129.83 146.12 51.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.892 0.377 . . . . 1.0 110.914 -178.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.53 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 1.1 m-20 -113.7 148.07 39.0 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.293 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -60.84 -24.43 79.09 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.71 2.273 . . . . 1.0 112.063 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -77.53 -9.77 59.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.43 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 98.96 23.07 11.97 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.821 -0.912 . . . . 1.0 110.821 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -115.29 136.11 53.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 1.0 110.68 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -123.81 143.53 14.97 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.645 -0.982 . . . . 1.0 110.645 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.428 HG22 HG22 ' A' ' 81' ' ' THR . 81.7 p -133.33 153.3 51.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.81 0.338 . . . . 1.0 110.752 -178.009 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.707 ' CG1' ' H ' ' A' ' 79' ' ' GLY . 7.5 p -103.19 118.4 50.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.158 176.146 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.434 HG11 ' NE ' ' A' ' 55' ' ' ARG . 17.5 m -107.12 3.33 10.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.825 -175.312 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -157.31 145.25 19.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.92 0.39 . . . . 1.0 110.858 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.529 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 89.3 tt0 -167.41 126.42 1.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.215 179.058 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -128.19 145.94 50.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.769 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.453 ' C ' HH11 ' A' ' 43' ' ' ARG . 80.3 mtm180 -134.78 145.08 48.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.451 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -95.64 -53.89 1.5 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -91.67 -131.21 5.18 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.695 -0.962 . . . . 1.0 110.695 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.0 tp10 -173.25 56.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 1.0 110.588 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.49 ' CZ ' ' OD2' ' A' ' 49' ' ' ASP . 16.8 ptp180 -90.92 -48.15 7.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.462 177.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.449 ' O ' ' NH1' ' A' ' 69' ' ' ARG . 10.0 mt -103.12 148.87 36.29 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.511 178.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -66.88 175.17 5.74 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.739 2.292 . . . . 1.0 112.127 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 32.9 t -90.63 136.51 33.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.697 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.482 ' O ' ' C ' ' A' ' 78' ' ' LEU . 30.1 mt -109.2 -15.49 14.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.476 -179.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.529 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 8.4 tp -33.59 136.1 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.521 -178.012 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.707 ' H ' ' CG1' ' A' ' 64' ' ' VAL . . . 92.12 0.37 71.13 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.432 HD23 ' CZ ' ' A' ' 82' ' ' PHE . 30.8 tp -86.41 125.07 33.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.769 0.318 . . . . 1.0 110.54 -179.166 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.428 HG22 HG22 ' A' ' 63' ' ' THR . 14.3 p -101.5 129.19 47.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.648 177.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 4.0 m-85 -103.42 147.58 34.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.509 -179.121 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -79.97 145.65 17.77 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.854 2.369 . . . . 1.0 112.167 177.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.31 -38.4 71.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.691 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.85 -23.6 7.21 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.006 -0.837 . . . . 1.0 111.006 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.405 ' OD2' HMB3 ' A' ' 301' ' ' CYC . 46.5 t0 -55.25 -26.54 40.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.745 0.307 . . . . 1.0 110.525 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.718 HD11 HMB2 ' A' ' 301' ' ' CYC . 93.9 mt -134.54 93.18 18.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.53 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.465 ' O ' ' O ' ' A' ' 87' ' ' ILE . 85.6 Cg_exo -40.39 -103.54 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.775 2.316 . . . . 1.0 112.203 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.462 ' HG2' ' H ' ' A' ' 90' ' ' GLU . 1.1 pm0 -162.24 -53.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.51 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.462 ' H ' ' HG2' ' A' ' 89' ' ' GLU . 20.0 pt-20 -46.2 -39.83 10.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.553 -177.508 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.768 ' HB1' HBA1 ' A' ' 301' ' ' CYC . . . -69.34 -43.69 73.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.569 179.116 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -67.42 -27.5 67.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.542 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 59.5 mtp85 -59.67 -52.89 63.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.523 -178.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.488 ' HG ' ' HB3' ' A' ' 98' ' ' ALA . 18.0 tp -52.31 -44.56 65.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.469 -178.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.437 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 7.4 m-85 -55.1 -31.12 60.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.782 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 70.3 mtm180 -84.91 -18.48 34.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.696 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.9 mp -103.15 -50.97 3.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.235 -177.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.488 ' HB3' ' HG ' ' A' ' 94' ' ' LEU . . . -99.52 -15.55 18.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.49 -174.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.482 ' C ' ' O ' ' A' ' 98' ' ' ALA . 90.4 mt-30 34.66 61.63 0.56 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.34 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.596 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 35.2 m -93.39 -44.52 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.77 177.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.596 ' CG ' ' O ' ' A' ' 100' ' ' VAL . 46.8 ptt85 47.1 49.55 14.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.338 173.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.614 ' C ' HD12 ' A' ' 103' ' ' ILE . 11.8 p -144.62 125.63 8.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.617 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.614 HD12 ' C ' ' A' ' 102' ' ' VAL . 1.6 mp -112.66 134.81 54.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.7 179.382 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.432 HG22 ' H ' ' A' ' 104' ' ' VAL . 0.2 OUTLIER -84.47 171.67 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.289 -179.269 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -51.18 121.9 6.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.45 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 15.5 m -58.98 -9.72 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.547 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -75.71 -34.63 60.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.304 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.33 -10.62 2.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.356 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 47.02 62.42 2.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.729 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.74 136.63 33.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.393 175.066 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 74.6 mtp85 -120.55 132.18 55.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.835 -176.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.443 ' O ' ' CG ' ' A' ' 136' ' ' ASP . 0.1 OUTLIER -143.99 116.17 8.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.242 177.626 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 21.8 pt -118.94 -167.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.794 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 79.1 p -79.56 169.74 17.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.65 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.601 ' NE2' ' CZ3' ' A' ' 119' ' ' TRP . 4.6 pt20 -168.14 151.01 5.43 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.432 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.07 -26.53 30.71 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.914 2.409 . . . . 1.0 112.152 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -106.21 156.49 18.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.62 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 87.1 p -141.27 158.53 43.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.589 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.601 ' CZ3' ' NE2' ' A' ' 115' ' ' GLN . 38.6 p90 -142.51 161.69 37.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.587 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 83.44 12.41 78.42 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.951 -0.86 . . . . 1.0 110.951 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 18.9 tp -90.74 128.6 36.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 1.0 110.547 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 59.3 m -150.16 174.53 12.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.509 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.1 -42.31 76.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.616 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -178.76 63.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.511 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 71.7 t -93.01 120.1 67.27 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.544 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -78.09 130.72 10.46 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.849 2.366 . . . . 1.0 112.096 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 26.4 mt 59.11 -124.72 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.607 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 63.75 33.22 86.67 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -134.11 157.84 76.7 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.943 0.401 . . . . 1.0 110.542 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -45.37 154.79 0.47 Allowed 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.916 2.411 . . . . 1.0 112.162 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 47.0 mt -70.15 -18.93 63.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.438 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLN . . . . . 0.441 ' O ' ' NE2' ' A' ' 132' ' ' GLN . 4.9 pp0? -132.13 129.35 39.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.431 -179.537 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -112.37 103.48 55.44 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.693 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -48.5 146.96 9.76 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.743 2.295 . . . . 1.0 111.985 177.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -127.82 137.78 56.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.562 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.571 ' OD1' HAD2 ' A' ' 301' ' ' CYC . 0.3 OUTLIER -42.29 150.74 0.38 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.493 -179.704 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -50.54 -10.29 0.26 Allowed 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.854 2.369 . . . . 1.0 111.918 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.42 ' H ' ' C ' ' A' ' 136' ' ' ASP . 0.7 OUTLIER -68.85 -43.15 76.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.386 179.127 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.631 ' NE2' HD11 ' A' ' 143' ' ' LEU . 0.0 OUTLIER -82.39 -41.2 20.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.302 -175.357 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.61 ' CG2' ' N ' ' A' ' 141' ' ' HIS . 1.7 m -54.71 -48.96 71.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.527 -178.163 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.61 ' N ' ' CG2' ' A' ' 140' ' ' VAL . 83.4 t60 -69.45 -41.91 75.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.448 178.023 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' TYR . . . . . 0.506 ' CZ ' ' CE ' ' A' ' 146' ' ' MET . 52.5 t80 -45.8 -42.75 12.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.459 178.346 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.631 HD11 ' NE2' ' A' ' 139' ' ' HIS . 83.9 mt -71.37 -48.38 50.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.454 177.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -57.86 -42.86 85.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.472 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 25.9 m -54.6 -27.7 41.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.417 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.506 ' CE ' ' CZ ' ' A' ' 142' ' ' TYR . 28.8 mtt -92.59 0.04 57.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.465 177.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 71.74 24.88 76.11 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 178.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.563 ' CG2' ' O ' ' A' ' 150' ' ' SER . 0.4 OUTLIER -113.02 122.06 66.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.836 0.351 . . . . 1.0 110.616 178.844 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -89.84 -24.57 21.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.293 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.563 ' O ' ' CG2' ' A' ' 148' ' ' VAL . 50.2 m -108.06 135.03 50.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.18 -178.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.473 ' OG ' HG21 ' A' ' 103' ' ' ILE . 1.4 p -136.73 116.72 13.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.884 0.374 . . . . 1.0 111.127 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 21.5 tp -116.64 134.11 55.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.009 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.416 ' C ' ' CG2' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -126.81 156.88 38.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.046 0.451 . . . . 1.0 111.254 -178.609 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.416 ' CG2' ' C ' ' A' ' 153' ' ' VAL . 1.4 t -151.42 76.08 7.73 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 115.727 -0.67 . . . . 1.0 109.963 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_exo -47.57 145.19 9.38 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.972 2.448 . . . . 1.0 112.688 -176.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 28.9 mt -111.86 96.82 6.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.222 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 17.9 ptm -112.58 134.54 54.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.796 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' HIS . . . . . 0.524 ' CE1' ' CB ' ' A' ' 196' ' ' ALA . 29.3 t60 -112.71 124.16 51.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.425 177.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.411 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 37.2 t-80 67.4 -110.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.408 -178.288 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 160' ' ' GLN . . . . . 0.401 ' N ' ' CG ' ' A' ' 159' ' ' HIS . 23.5 tt0 -120.11 3.04 10.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.427 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.54 ' C ' HD12 ' A' ' 162' ' ' LEU . 58.9 mm-40 -114.47 163.32 15.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.559 -177.439 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 162' ' ' LEU . 10.5 mp -104.64 122.06 44.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.485 177.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 50.8 m95 -104.97 -41.63 5.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.909 -176.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -143.25 175.15 23.48 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.306 -0.718 . . . . 1.0 111.306 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.6 tp -146.4 134.18 21.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.747 0.308 . . . . 1.0 110.451 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 40.7 tp -104.75 143.17 33.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.618 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.516 HG21 ' OB ' ' A' ' 301' ' ' CYC . 13.0 p -148.01 136.71 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.692 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.572 ' O ' ' ND1' ' A' ' 169' ' ' HIS . 2.5 m -123.99 142.51 51.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.358 179.151 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 169' ' ' HIS . . . . . 0.572 ' ND1' ' O ' ' A' ' 168' ' ' SER . 12.2 m-70 -142.78 137.69 29.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.723 -179.295 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -171.22 169.35 6.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.487 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.416 ' HB2' ' NH1' ' A' ' 73' ' ' ARG . . . -55.51 -171.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.617 178.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 172' ' ' GLU . . . . . 0.486 ' O ' ' OE1' ' A' ' 172' ' ' GLU . 0.0 OUTLIER -117.51 79.53 12.29 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.619 179.762 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -83.66 -55.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.856 2.37 . . . . 1.0 112.167 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 11.9 mtp-105 -144.79 153.25 54.0 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.524 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.17 175.17 5.08 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.812 2.341 . . . . 1.0 112.079 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 176' ' ' TYR . . . . . 0.473 ' CD1' ' O ' ' A' ' 176' ' ' TYR . 30.2 p90 -119.61 133.88 55.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.618 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 53.3 p -83.76 140.63 31.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.58 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -66.53 -36.94 83.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.518 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -60.39 -55.81 29.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.517 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -64.74 -32.68 74.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.459 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 181' ' ' LEU . . . . . 0.507 HD11 HH12 ' A' ' 101' ' ' ARG . 30.4 tp -57.49 -43.4 84.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.409 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -58.04 -49.88 75.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.299 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 64.4 t -43.32 -42.41 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.139 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 184' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 187' ' ' LEU . 93.5 t -73.88 -38.76 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.141 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.537 ' CD ' HH21 ' A' ' 101' ' ' ARG . 53.6 tt0 -45.23 -37.68 4.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.078 178.327 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 19.6 tp -72.42 -34.2 67.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.078 177.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 187' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 184' ' ' VAL . 6.7 tt -56.01 -34.5 65.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.079 178.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -75.54 -39.61 58.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.156 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -55.06 -41.39 71.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.088 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -54.74 -53.63 52.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.119 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 194' ' ' ALA . 78.4 t -51.28 -44.71 31.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.084 178.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 4.3 t -47.99 -30.33 4.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.078 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 7.8 mm -80.19 -32.19 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.09 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 194' ' ' ALA . . . . . 0.447 ' O ' ' HB2' ' A' ' 198' ' ' ALA . . . -71.03 -46.75 61.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.203 -178.45 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 2.3 pp -67.15 -32.61 58.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.268 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.524 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.65 -56.54 4.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.347 178.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -59.26 -25.67 64.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.337 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 198' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 194' ' ' ALA . . . -74.4 -37.69 63.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.416 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -51.6 -37.51 50.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.453 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 43.5 tp -57.93 -58.62 7.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.482 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 88.1 p -53.65 -42.38 67.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.529 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.537 ' N ' HD12 ' A' ' 202' ' ' LEU . 10.7 mp . . . . . 0 C--O 1.219 -0.53 0 CA-C-O 117.983 -1.008 . . . . 1.0 110.603 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 301' ' ' CYC . . . . . 0.768 HBA1 ' HB1' ' A' ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.1 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.827 0.346 . . . . 1.0 110.537 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -63.46 -34.6 78.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.568 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -76.87 -56.31 4.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.57 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.732 HD13 ' O ' ' A' ' 34' ' ' ILE . 0.2 OUTLIER -56.22 -36.48 46.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.557 -178.381 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.454 ' O ' ' OG1' ' A' ' 38' ' ' THR . 84.1 mt -72.35 -27.18 62.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.661 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.481 ' O ' HG12 ' A' ' 39' ' ' VAL . 59.3 ttt180 -57.76 -34.66 69.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.561 179.186 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.18 -25.07 34.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.628 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 34' ' ' ILE . 59.4 p -71.34 -48.18 51.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.656 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.481 HG12 ' O ' ' A' ' 36' ' ' ARG . 4.4 p -56.53 -39.41 61.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.664 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.455 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 98.2 mt-10 -70.95 -40.05 72.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.598 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -62.66 -43.98 97.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.502 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 70.1 t -64.2 -49.96 78.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.534 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.537 ' O ' ' N ' ' A' ' 47' ' ' GLY . 5.7 tmm_? -48.81 -44.61 39.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.512 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.04 -40.58 94.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.544 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -72.99 -52.88 12.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.608 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.565 ' O ' ' N ' ' A' ' 48' ' ' THR . 97.9 mt -79.82 -0.59 35.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.576 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.63 20.89 0.03 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 178.297 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.565 ' N ' ' O ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -72.42 136.67 46.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.899 0.38 . . . . 1.0 110.63 179.491 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.535 ' CG ' ' ND1' ' A' ' 170' ' ' HIS . 58.6 m-20 -54.97 -37.98 67.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.609 -177.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.735 ' NH2' ' H ' ' A' ' 74' ' ' LEU . 67.3 mtt85 -144.66 125.1 13.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.437 . . . . 1.0 111.017 -176.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.9 p -144.25 138.62 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.867 -0.606 . . . . 1.0 109.834 177.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -144.28 163.05 34.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.022 0.439 . . . . 1.0 111.271 -177.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.3 t -107.03 140.53 24.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.77 -0.65 . . . . 1.0 109.83 178.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.629 ' HB2' HBB1 ' A' ' 301' ' ' CYC . 17.4 t80 -123.92 120.42 32.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.893 0.378 . . . . 1.0 111.222 -178.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.532 ' NE ' ' OG1' ' A' ' 63' ' ' THR . 1.5 ppt_? -95.53 164.86 12.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.007 179.257 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -130.28 145.26 51.74 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.765 -0.374 . . . . 1.0 110.909 -178.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 22.0 t70 -116.01 133.66 22.85 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.298 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -44.04 -31.11 3.69 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.755 2.304 . . . . 1.0 112.044 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -71.69 -9.64 58.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.43 -178.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.96 18.21 27.83 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.8 -0.92 . . . . 1.0 110.8 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.476 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 85.3 m-70 -114.93 139.75 49.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 1.0 110.745 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.731 ' O ' HG23 ' A' ' 81' ' ' THR . . . -134.53 155.94 22.18 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.627 -0.989 . . . . 1.0 110.627 179.342 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.532 ' OG1' ' NE ' ' A' ' 55' ' ' ARG . 18.8 p -138.91 159.66 41.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.837 0.351 . . . . 1.0 110.831 -177.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.706 ' CG1' ' H ' ' A' ' 79' ' ' GLY . 11.7 p -101.05 113.74 38.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.156 175.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.3 m -101.41 3.69 10.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.883 -175.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -160.45 148.19 16.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 1.0 110.898 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.541 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 87.9 tt0 -167.67 126.33 1.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.258 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -124.87 133.36 53.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.816 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 49.6 mtm180 -114.35 141.71 47.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.503 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -91.72 -74.87 1.29 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 178.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.24 -120.9 1.21 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.741 -0.944 . . . . 1.0 110.741 178.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -174.06 53.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.797 0.332 . . . . 1.0 110.601 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.42 ' H ' ' HG2' ' A' ' 73' ' ' ARG . 10.7 ptp180 -90.49 -19.56 23.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.56 176.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.735 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 9.0 mt -130.3 162.73 52.55 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.538 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -81.88 173.16 11.39 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.749 2.3 . . . . 1.0 112.049 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 60.0 p -90.61 139.68 30.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.649 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.507 ' O ' ' C ' ' A' ' 78' ' ' LEU . 31.5 mt -113.47 -18.32 12.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.494 -178.138 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.541 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 7.8 tp -32.16 135.58 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.524 -177.322 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.706 ' H ' ' CG1' ' A' ' 64' ' ' VAL . . . 92.82 1.44 67.85 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 -179.4 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.759 HD23 ' N ' ' A' ' 81' ' ' THR . 3.5 tt -85.78 124.11 31.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.343 . . . . 1.0 110.587 -178.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.759 ' N ' HD23 ' A' ' 80' ' ' LEU . 29.0 m -94.71 122.73 37.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.616 177.343 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.504 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 11.2 m-85 -97.01 137.67 21.28 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.464 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -78.83 146.21 20.62 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.828 2.352 . . . . 1.0 112.182 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.6 -35.88 73.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.683 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -47.21 -23.17 1.67 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -52.63 -28.41 21.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.367 . . . . 1.0 110.619 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 14.9 pt -137.28 138.51 25.33 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.468 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.45 -94.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.859 2.372 . . . . 1.0 112.234 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -172.89 -25.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.605 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.439 ' OE1' ' OG ' ' A' ' 114' ' ' SER . 20.6 pt-20 -70.1 -41.24 74.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.53 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.535 ' HB1' HBA1 ' A' ' 301' ' ' CYC . . . -62.15 -34.69 76.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.522 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -65.25 -21.44 66.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.602 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.3 mmt85 -57.9 -54.78 43.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.45 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.628 ' O ' ' N ' ' A' ' 98' ' ' ALA . 8.7 mp -47.18 -49.4 22.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.513 178.202 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -64.82 -18.53 65.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.764 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -92.35 -35.24 13.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.672 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 23.1 mt -106.62 -41.36 5.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.177 -177.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.628 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -83.51 -28.01 28.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.432 -177.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.491 ' C ' ' O ' ' A' ' 98' ' ' ALA . 93.1 mt-30 32.68 58.56 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.358 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.524 HG12 HG12 ' A' ' 102' ' ' VAL . 11.3 t -106.02 -46.48 8.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.844 176.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 56.18 55.69 6.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.165 173.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.625 ' C ' HD12 ' A' ' 103' ' ' ILE . 8.2 p -146.91 128.19 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.634 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.625 HD12 ' C ' ' A' ' 102' ' ' VAL . 1.7 mp -112.19 135.01 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.721 178.466 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.429 HG22 ' H ' ' A' ' 104' ' ' VAL . 0.7 OUTLIER -82.65 170.3 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.309 -178.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -50.02 122.66 6.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.416 -0.357 . . . . 1.0 110.443 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 16.8 m -58.7 -10.1 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.552 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -76.35 -33.71 58.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.366 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.13 -13.2 10.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.431 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 49.52 62.91 2.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.73 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.3 p -84.7 136.29 33.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.36 174.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 94.2 mtm-85 -119.58 129.0 54.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.848 -176.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.425 ' OG ' ' N ' ' A' ' 113' ' ' ILE . 1.0 OUTLIER -126.05 171.16 11.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.228 177.546 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.63 ' CG1' ' H ' ' A' ' 114' ' ' SER . 4.7 tt -176.14 -176.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.754 -178.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.63 ' H ' ' CG1' ' A' ' 113' ' ' ILE . 22.9 m -71.66 158.43 36.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.697 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -176.93 69.82 0.23 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.492 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -45.62 137.35 11.88 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.815 2.344 . . . . 1.0 112.222 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -131.83 167.58 19.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.654 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.559 ' O ' ' CG ' ' A' ' 119' ' ' TRP . 95.9 p -114.54 136.06 53.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.651 179.666 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.559 ' CG ' ' O ' ' A' ' 118' ' ' SER . 33.2 m95 -169.25 -96.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.625 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 121' ' ' LEU . . . 99.45 9.7 49.8 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.437 ' O ' ' O ' ' A' ' 120' ' ' GLY . 77.9 mt -57.11 -156.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.755 0.312 . . . . 1.0 110.605 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 54.2 p -57.63 161.81 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.554 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.66 -39.55 91.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.552 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.459 ' CG ' ' O ' ' A' ' 124' ' ' ARG . 6.5 ptm180 -104.36 81.0 1.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.539 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.454 ' O ' HG23 ' A' ' 125' ' ' VAL . 35.1 m -64.32 126.48 90.53 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.54 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -43.32 167.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.794 2.33 . . . . 1.0 112.08 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 16.8 tp -43.78 -75.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.628 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 51.54 33.74 33.84 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.862 -0.895 . . . . 1.0 110.862 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.457 ' OE1' ' NH1' ' A' ' 133' ' ' ARG . 46.9 mt-10 -144.72 158.78 52.66 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.892 0.377 . . . . 1.0 110.596 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -46.77 160.99 0.21 Allowed 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.817 2.345 . . . . 1.0 112.16 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 30.4 mt -75.02 5.39 5.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.401 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLN . . . . . 0.493 ' N ' ' OE1' ' A' ' 132' ' ' GLN . 9.1 mp0 -133.24 155.44 49.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.477 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.589 ' NE ' HD23 ' A' ' 94' ' ' LEU . 3.1 tpm_? -109.08 103.61 52.75 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.688 -179.418 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -80.57 143.66 15.3 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.775 2.316 . . . . 1.0 111.982 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 1.9 t -130.55 138.82 52.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.506 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.489 ' HB2' HAD2 ' A' ' 301' ' ' CYC . 0.9 OUTLIER -41.26 153.47 0.24 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.429 -179.745 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -50.07 -24.34 10.83 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.797 2.332 . . . . 1.0 111.953 -178.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -53.73 -51.06 64.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.482 178.387 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.628 ' NE2' HD11 ' A' ' 143' ' ' LEU . 0.1 OUTLIER -70.54 -37.05 74.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.281 -179.259 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 48.9 t -52.01 -64.36 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.473 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -61.76 -39.81 92.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.447 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' TYR . . . . . 0.479 ' CZ ' ' CE ' ' A' ' 146' ' ' MET . 60.5 t80 -44.97 -45.18 10.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.416 179.109 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.628 HD11 ' NE2' ' A' ' 139' ' ' HIS . 88.1 mt -69.37 -50.75 43.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.407 178.491 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -54.35 -40.84 68.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.439 -178.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 29.2 t -55.4 -25.2 34.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.479 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.479 ' CE ' ' CZ ' ' A' ' 142' ' ' TYR . 29.0 mtt -93.15 -0.71 56.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.457 177.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 68.82 25.25 75.33 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.862 -0.895 . . . . 1.0 110.862 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.693 HG11 ' HB3' ' A' ' 169' ' ' HIS . 5.3 m -111.37 119.12 59.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.755 0.312 . . . . 1.0 110.697 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -81.6 -27.53 34.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.215 -179.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 34.5 t -106.8 146.46 30.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.116 -178.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.41 ' OG ' ' CG2' ' A' ' 103' ' ' ILE . 2.5 p -147.03 111.86 5.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.897 0.379 . . . . 1.0 111.161 179.416 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 43.1 tp -108.53 133.17 53.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.0 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.441 ' O ' HG23 ' A' ' 154' ' ' VAL . 1.5 p -129.54 152.08 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.083 0.468 . . . . 1.0 111.207 -178.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 153' ' ' VAL . 69.3 t -157.1 89.15 2.57 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.703 -0.681 . . . . 1.0 109.941 -177.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -55.47 153.17 29.76 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.967 2.445 . . . . 1.0 112.66 -176.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 31.0 mt -109.13 97.92 7.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.263 177.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 59.7 mtp -106.88 124.02 49.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.786 -176.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' HIS . . . . . 0.579 ' CE1' ' CB ' ' A' ' 196' ' ' ALA . 22.1 t60 -114.6 120.11 39.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.401 176.049 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.507 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 38.9 t-80 77.35 -114.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.336 -176.438 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -122.21 2.78 9.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.417 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -117.18 168.13 10.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.526 -178.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 6.3 tt -104.01 123.59 47.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.433 178.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' TRP . . . . . 0.526 ' CE3' ' OE2' ' A' ' 199' ' ' GLU . 50.9 m95 -104.96 -38.78 6.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.835 -176.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -141.21 174.42 22.83 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.243 -0.743 . . . . 1.0 111.243 -178.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.4 tp -143.25 130.98 21.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.714 0.292 . . . . 1.0 110.423 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.41 ' HB3' ' O ' ' A' ' 154' ' ' VAL . 12.5 tp -104.75 138.69 40.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.626 178.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.47 HG11 ' OB ' ' A' ' 301' ' ' CYC . 70.8 t -150.67 132.29 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.691 -178.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.454 ' O ' ' ND1' ' A' ' 169' ' ' HIS . 4.9 m -118.79 146.05 45.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.397 178.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 169' ' ' HIS . . . . . 0.693 ' HB3' HG11 ' A' ' 148' ' ' VAL . 20.2 m-70 -138.61 136.43 35.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.748 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 170' ' ' HIS . . . . . 0.709 ' CD2' ' N ' ' A' ' 171' ' ' ALA . 43.7 t60 -170.47 168.57 7.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.443 -178.163 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.709 ' N ' ' CD2' ' A' ' 170' ' ' HIS . . . -54.96 -167.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.561 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -114.2 94.42 34.92 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.592 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 173' ' ' PRO . . . . . 0.404 ' HG2' ' H ' ' A' ' 174' ' ' ARG . 94.1 Cg_endo -85.5 -65.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.851 2.368 . . . . 1.0 112.098 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.404 ' H ' ' HG2' ' A' ' 173' ' ' PRO . 89.0 mtt180 -151.39 153.52 32.48 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.548 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -49.43 170.97 0.08 OUTLIER 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.759 2.306 . . . . 1.0 112.106 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 176' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 176' ' ' TYR . 16.2 p90 -117.13 139.11 51.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.645 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 25.9 t -95.39 141.2 29.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.529 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -63.58 -32.66 74.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.519 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.09 -50.12 73.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.479 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -68.51 -31.3 70.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.436 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 32.0 tp -58.44 -35.35 71.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.436 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.429 ' HA ' HE21 ' A' ' 185' ' ' GLN . 63.6 tt0 -68.26 -50.54 53.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.372 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 54.3 t -43.02 -50.13 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.135 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 5.0 p -74.52 -36.51 41.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.237 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.429 HE21 ' HA ' ' A' ' 182' ' ' GLN . 6.9 tt0 -47.73 -40.34 20.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.056 178.302 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 14.4 tp -73.51 -33.87 64.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.069 178.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 6.7 tt -56.58 -32.73 65.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.069 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -73.63 -38.51 65.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.067 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -58.67 -40.31 83.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.183 179.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 190' ' ' GLN . . . . . 0.603 ' O ' HG22 ' A' ' 193' ' ' ILE . 62.7 tt0 -53.9 -56.66 15.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.14 179.3 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 194' ' ' ALA . 88.3 t -52.43 -41.79 36.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.144 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 1.7 m -47.25 -28.7 2.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.093 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 193' ' ' ILE . . . . . 0.603 HG22 ' O ' ' A' ' 190' ' ' GLN . 3.3 tt -79.98 -32.61 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.138 179.065 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 194' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 191' ' ' VAL . . . -72.43 -47.33 49.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.163 -179.311 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 195' ' ' ILE . . . . . 0.46 HG23 ' N ' ' A' ' 196' ' ' ALA . 3.4 tp -62.57 -39.07 83.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.233 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.579 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.27 -54.64 6.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.35 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 197' ' ' GLN . . . . . 0.417 ' O ' ' NE2' ' A' ' 197' ' ' GLN . 15.2 tm0? -56.7 -25.27 53.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.345 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -74.15 -37.81 63.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.48 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 199' ' ' GLU . . . . . 0.526 ' OE2' ' CE3' ' A' ' 163' ' ' TRP . 94.5 mt-10 -51.87 -38.47 56.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.408 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 28.9 tp -52.37 -67.05 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.465 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 19.3 m -66.38 -50.23 64.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.583 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 46.2 mt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.059 -0.972 . . . . 1.0 110.565 179.935 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 301' ' ' CYC . . . . . 0.629 HBB1 ' HB2' ' A' ' 54' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.628 HD21 HH12 ' A' ' 55' ' ' ARG . 12.0 tp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.788 0.328 . . . . 1.0 110.542 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.7 p-10 -64.42 -32.18 73.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.565 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -76.87 -50.66 12.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.526 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.701 HD13 ' O ' ' A' ' 34' ' ' ILE . 0.3 OUTLIER -62.35 -29.33 46.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.557 -179.203 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.686 ' O ' HG22 ' A' ' 38' ' ' THR . 76.6 mt -80.29 -19.36 46.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.644 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.585 ' O ' HG12 ' A' ' 39' ' ' VAL . 53.1 ttm-85 -73.66 -34.87 65.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.539 179.296 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.3 -25.33 29.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.592 -178.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.686 HG22 ' O ' ' A' ' 35' ' ' LEU . 2.7 t -71.73 -43.0 66.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.6 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 36' ' ' ARG . 4.1 p -56.3 -38.01 53.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.686 178.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.436 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 98.8 mt-10 -75.22 -34.48 61.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.607 179.27 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -66.08 -52.53 47.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.519 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.568 HG13 ' N ' ' A' ' 43' ' ' ARG . 10.1 p -61.71 -44.98 99.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.541 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.568 ' N ' HG13 ' A' ' 42' ' ' VAL . 4.7 tmm_? -49.63 -42.94 46.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.555 179.307 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.54 -36.77 81.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.529 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -77.22 -50.25 13.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.549 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.574 ' N ' HD12 ' A' ' 46' ' ' LEU . 9.9 mp -78.86 -3.77 46.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.53 178.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.88 20.37 0.03 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.984 -0.846 . . . . 1.0 110.984 178.383 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.554 ' N ' ' O ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -71.88 136.0 46.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.77 0.319 . . . . 1.0 110.613 179.469 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' A' ' 70' ' ' GLY . 52.5 m-20 -55.33 -39.86 70.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.587 -177.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.558 HH12 ' NZ ' ' A' ' 52' ' ' LYS . 68.5 ttp85 -140.45 124.13 17.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.028 0.442 . . . . 1.0 111.025 -176.699 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.7 p -145.3 136.68 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.861 -0.609 . . . . 1.0 109.841 176.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.558 ' NZ ' HH12 ' A' ' 50' ' ' ARG . 23.8 pttm -145.52 163.79 33.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.042 0.449 . . . . 1.0 111.236 -177.253 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.675 HG12 ' HB3' ' A' ' 66' ' ' ALA . 9.2 p -108.23 138.68 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.669 -0.696 . . . . 1.0 109.828 178.104 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.575 ' HB2' HBB1 ' A' ' 301' ' ' CYC . 18.7 t80 -119.9 119.76 34.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.904 0.383 . . . . 1.0 111.222 -178.324 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.628 HH12 HD21 ' A' ' 31' ' ' LEU . 26.8 mmm-85 -93.63 162.56 13.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.966 -0.561 . . . . 1.0 109.899 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -131.66 145.72 51.81 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.744 -0.383 . . . . 1.0 110.944 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 61' ' ' HIS . 10.8 m-20 -117.78 136.27 23.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.298 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -45.17 -29.11 3.92 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.728 2.286 . . . . 1.0 112.065 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -74.2 -7.39 52.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.371 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.73 19.75 28.5 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.825 -0.91 . . . . 1.0 110.825 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.511 ' O ' ' N ' ' A' ' 57' ' ' ASP . 92.5 m-70 -116.05 140.01 49.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 1.0 110.715 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.443 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -135.45 157.3 23.13 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.644 -0.983 . . . . 1.0 110.644 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 70.9 p -140.03 159.03 43.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 1.0 110.738 -178.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.3 t -100.98 113.95 38.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.231 176.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 23.3 m -102.05 3.43 10.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.88 -176.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.675 ' HB3' HG12 ' A' ' 53' ' ' VAL . . . -158.72 146.01 17.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.938 0.399 . . . . 1.0 110.913 -179.172 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.532 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 88.7 tt0 -167.27 126.11 1.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.279 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -122.87 130.48 52.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.803 178.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.463 ' HA ' ' O ' ' A' ' 49' ' ' ASP . 79.1 mtm180 -109.82 141.04 43.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.462 -179.319 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -91.77 -103.54 1.4 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.24 1.23 6.83 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.771 -0.932 . . . . 1.0 110.771 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 58.52 62.57 1.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.785 0.326 . . . . 1.0 110.536 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.499 ' NH2' ' O ' ' A' ' 147' ' ' GLY . 5.6 ptm180 -86.52 -52.22 5.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.518 178.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.434 ' H ' ' HG3' ' A' ' 73' ' ' ARG . 14.3 mt -99.69 146.31 31.62 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.545 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -54.68 173.99 0.22 Allowed 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.678 2.252 . . . . 1.0 112.087 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.6 p -88.33 129.41 35.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.711 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.485 ' O ' ' C ' ' A' ' 78' ' ' LEU . 28.0 mt -103.62 -19.55 14.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.433 -178.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.532 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 22.5 tp -33.56 136.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.513 -177.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.87 0.37 66.4 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.854 -0.898 . . . . 1.0 110.854 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 mt -88.96 126.0 35.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.719 0.295 . . . . 1.0 110.571 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.446 ' O ' HG23 ' A' ' 81' ' ' THR . 8.8 t -100.1 128.82 46.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.619 177.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.502 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 8.3 m-85 -105.39 143.73 27.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.503 -179.055 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -78.86 147.64 21.65 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.875 2.383 . . . . 1.0 112.141 178.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.73 -35.7 68.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.604 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.08 -23.83 4.14 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.547 ' OD2' HMB3 ' A' ' 301' ' ' CYC . 61.2 t0 -55.24 -31.79 61.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.838 0.351 . . . . 1.0 110.55 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.403 HD13 HG21 ' A' ' 87' ' ' ILE . 24.8 mt -125.29 131.5 24.08 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.542 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.91 -103.46 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.836 2.357 . . . . 1.0 112.159 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -164.43 -54.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.566 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.44 ' OE1' ' OG ' ' A' ' 114' ' ' SER . 23.0 pt-20 -46.46 -37.68 8.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.571 -179.159 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.06 -48.64 57.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.553 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.406 HH21 ' HB2' ' A' ' 162' ' ' LEU . 57.0 ttt180 -56.4 -22.74 33.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.553 -178.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 68.8 mtp85 -67.41 -48.57 66.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.471 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 98' ' ' ALA . 23.4 mt -46.35 -54.08 9.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.478 -178.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -60.24 -26.1 66.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.743 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -86.0 -20.53 28.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.733 179.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.8 mp -105.47 -48.91 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.255 -178.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -95.67 -16.64 21.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.47 -175.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.488 ' C ' ' O ' ' A' ' 98' ' ' ALA . 89.1 mt-30 34.51 63.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.355 178.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.616 HG23 ' N ' ' A' ' 101' ' ' ARG . 26.4 m -113.18 -48.19 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.811 176.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.616 ' N ' HG23 ' A' ' 100' ' ' VAL . 1.3 mtt180 58.38 63.99 1.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.24 174.004 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.19 123.08 14.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.606 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.455 HD12 ' OG ' ' A' ' 151' ' ' SER . 97.1 mt -110.57 130.14 64.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.723 178.206 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.5 m -81.56 169.17 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.306 -177.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -51.96 123.2 9.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.427 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 26.4 m -57.67 -8.69 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.518 178.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -75.53 -33.84 60.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.36 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.42 -15.87 51.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.389 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 50.31 59.99 4.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.673 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.2 m -88.02 140.12 29.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.399 175.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -121.11 131.58 54.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.85 -177.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.424 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 6.1 t -136.47 115.18 12.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.201 177.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.404 HG21 HD13 ' A' ' 113' ' ' ILE . 26.9 pt -120.88 -166.34 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.741 -178.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.44 ' OG ' ' OE1' ' A' ' 90' ' ' GLU . 25.8 m -77.73 173.96 11.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.653 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -148.05 149.57 32.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.458 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.24 -37.86 9.78 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.832 2.354 . . . . 1.0 112.207 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.422 ' O ' ' OG ' ' A' ' 118' ' ' SER . 95.2 mt-10 -143.37 130.48 20.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.614 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 117' ' ' GLU . 58.0 m -170.04 -117.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.597 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 11.5 m-90 -72.19 144.56 48.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.558 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -153.29 -104.98 0.26 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.919 -0.872 . . . . 1.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 38.2 mt -87.14 134.94 33.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.785 0.326 . . . . 1.0 110.536 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 83.9 p -154.23 157.79 39.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.54 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.442 ' O ' ' HB2' ' A' ' 124' ' ' ARG . . . -80.36 -63.5 1.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.58 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.442 ' HB2' ' O ' ' A' ' 123' ' ' ALA . 57.5 ttm-85 177.25 75.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.577 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.613 ' O ' HG13 ' A' ' 125' ' ' VAL . 8.9 p -98.54 113.56 64.37 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.564 -178.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -81.31 128.34 6.25 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.781 2.321 . . . . 1.0 112.124 178.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.433 ' O ' ' OE2' ' A' ' 129' ' ' GLU . 6.9 tp 60.61 -121.3 0.9 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.572 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 76.51 -0.51 64.38 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -113.19 173.78 2.67 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.954 0.407 . . . . 1.0 110.544 179.858 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.4 ' CD ' ' CB ' ' A' ' 129' ' ' GLU . 61.1 Cg_exo -50.13 159.24 1.92 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.889 2.393 . . . . 1.0 112.164 -179.358 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.665 ' N ' HD12 ' A' ' 131' ' ' LEU . 8.7 mp -70.27 -10.02 57.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.465 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -131.77 170.3 15.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.447 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.413 ' HE ' ' HB3' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -135.94 119.82 12.77 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.632 -179.48 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.85 144.14 18.96 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.716 2.277 . . . . 1.0 112.025 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.612 HG23 ' NE2' ' A' ' 139' ' ' HIS . 0.0 OUTLIER -126.96 134.66 65.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.526 -179.758 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.739 ' OD1' HBD2 ' A' ' 301' ' ' CYC . 1.1 p30 -45.72 155.33 0.49 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.463 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -49.57 -12.02 0.3 Allowed 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.855 2.37 . . . . 1.0 111.91 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.462 ' SG ' ' CHD' ' A' ' 301' ' ' CYC . 0.1 OUTLIER -57.98 -41.97 84.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.428 179.407 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.612 ' NE2' HG23 ' A' ' 135' ' ' VAL . 0.2 OUTLIER -82.38 -28.1 31.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.271 -178.799 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 40.7 t -51.61 -63.57 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.517 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -64.52 -43.56 93.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.456 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -47.27 -54.14 11.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.484 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.559 HD12 ' ND1' ' A' ' 139' ' ' HIS . 96.9 mt -66.82 -52.12 47.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.437 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 44.2 tptt -53.52 -40.96 65.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.413 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.9 t -53.96 -24.26 15.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.527 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 49.4 mtt -93.24 -1.69 55.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.395 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.499 ' O ' ' NH2' ' A' ' 73' ' ' ARG . . . 71.51 25.97 74.15 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 179.171 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.624 HG13 ' O ' ' A' ' 148' ' ' VAL . 5.0 p -110.44 120.38 61.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.775 0.322 . . . . 1.0 110.701 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -84.16 -33.26 24.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.264 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.598 ' O ' HG22 ' A' ' 148' ' ' VAL . 26.7 t -106.79 146.7 30.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.146 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.455 ' OG ' HD12 ' A' ' 103' ' ' ILE . 2.0 t -148.41 119.34 7.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.917 0.389 . . . . 1.0 111.054 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 52.5 tp -112.45 117.7 33.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.98 -0.554 . . . . 1.0 109.999 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.611 HG13 ' HB3' ' A' ' 101' ' ' ARG . 2.0 p -100.64 153.02 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.036 0.446 . . . . 1.0 111.202 -178.556 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.559 ' O ' ' HB3' ' A' ' 166' ' ' LEU . 43.8 t -155.3 100.42 2.28 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 115.714 -0.676 . . . . 1.0 109.983 -178.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -78.37 151.04 25.84 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.944 2.429 . . . . 1.0 112.693 -178.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 38.7 mt -117.41 97.53 5.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.2 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 21.8 ptm -115.81 137.18 52.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.756 -178.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' HIS . . . . . 0.448 ' O ' ' HB3' ' A' ' 159' ' ' HIS . 45.8 t60 -113.78 122.92 48.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.405 177.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.448 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 78.3 t60 69.25 -109.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.376 -178.591 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -120.27 2.27 10.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.423 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -115.35 157.18 24.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.578 -176.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.406 ' HB2' HH21 ' A' ' 92' ' ' ARG . 14.6 tp -104.8 123.59 47.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.422 177.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 163' ' ' TRP . . . . . 0.417 ' CH2' ' OE2' ' A' ' 199' ' ' GLU . 98.9 m95 -102.45 -38.68 7.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.837 -177.234 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -148.26 178.92 25.53 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.216 -0.754 . . . . 1.0 111.216 -178.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 54' ' ' TYR . 2.1 tp -143.92 130.63 20.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.741 0.305 . . . . 1.0 110.425 -179.511 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.559 ' HB3' ' O ' ' A' ' 154' ' ' VAL . 4.3 tp -106.98 145.79 31.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.601 178.286 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 46.6 t -153.78 139.28 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.721 -177.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 16.4 m -120.2 141.08 50.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.362 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -135.5 137.6 42.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.772 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 170' ' ' HIS . . . . . 0.765 ' CD2' ' N ' ' A' ' 171' ' ' ALA . 24.8 t60 -170.84 166.13 7.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.509 -178.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.765 ' N ' ' CD2' ' A' ' 170' ' ' HIS . . . -51.97 -165.73 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.597 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -114.5 92.37 28.14 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.58 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -86.58 -62.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.859 2.373 . . . . 1.0 112.095 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 59.4 mtm-85 -147.41 153.91 44.64 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.496 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -49.03 177.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.785 2.323 . . . . 1.0 112.036 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -82.23 115.19 21.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.663 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 31.1 t -76.95 122.62 25.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.529 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -65.9 -30.9 71.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.534 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -64.44 -57.27 9.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.456 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.29 -29.45 67.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.454 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 17.3 tp -47.31 -58.2 4.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.376 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -60.71 -52.08 66.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.309 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 59.8 t -43.44 -48.52 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.189 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 86.6 t -74.98 -35.85 36.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.2 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -49.17 -41.59 37.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.094 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 53.0 mt -73.09 -33.71 65.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.042 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 20.0 tp -57.11 -31.21 65.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.084 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -72.6 -39.84 67.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.125 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -57.0 -40.09 75.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.152 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 190' ' ' GLN . . . . . 0.4 ' O ' ' OE1' ' A' ' 190' ' ' GLN . 0.7 OUTLIER -53.49 -55.4 25.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.173 179.709 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 81.9 t -56.25 -42.2 72.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.118 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 6.9 t -49.15 -34.47 14.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.056 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.6 mp -79.76 -33.06 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.148 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -70.27 -47.64 60.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.259 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 195' ' ' ILE . . . . . 0.491 HD11 ' NH2' ' A' ' 55' ' ' ARG . 18.8 tt -63.96 -33.2 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.291 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.439 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.5 -54.44 7.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.392 179.258 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -58.75 -26.22 63.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.358 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -74.95 -36.5 62.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.496 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 199' ' ' GLU . . . . . 0.417 ' OE2' ' CH2' ' A' ' 163' ' ' TRP . 84.8 tt0 -55.61 -39.0 70.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.456 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 39.2 tp -63.6 -59.01 5.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.486 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 23.2 t -59.33 -45.8 90.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.495 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 13.9 tp . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.949 -1.024 . . . . 1.0 110.567 179.817 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 301' ' ' CYC . . . . . 0.739 HBD2 ' OD1' ' A' ' 136' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.6 tp . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.776 0.322 . . . . 1.0 110.521 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -57.37 -32.88 67.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.534 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -76.49 -49.48 16.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.519 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.588 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.4 mp -62.07 -32.96 56.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.589 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.485 ' O ' HG22 ' A' ' 38' ' ' THR . 92.0 mt -78.73 -20.04 50.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.637 -179.264 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.543 ' O ' HG12 ' A' ' 39' ' ' VAL . 69.9 ttt180 -74.35 -34.11 63.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.563 178.66 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.59 -33.75 23.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.565 -178.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.556 ' CG2' ' N ' ' A' ' 39' ' ' VAL . 2.7 t -66.33 -44.85 82.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.588 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.556 ' N ' ' CG2' ' A' ' 38' ' ' THR . 4.6 p -56.31 -36.41 46.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.593 178.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -70.58 -39.12 74.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.602 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -63.2 -51.14 67.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.544 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.0 t -56.93 -51.5 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.527 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.549 ' O ' ' N ' ' A' ' 47' ' ' GLY . 30.7 ttp180 -47.16 -43.17 20.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.577 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.72 -37.58 82.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.458 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -76.18 -51.46 12.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.568 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.538 ' O ' ' N ' ' A' ' 48' ' ' THR . 18.2 mt -79.56 -1.11 36.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.587 179.276 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 41.44 21.44 0.06 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 178.205 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.61 HG22 ' H ' ' A' ' 50' ' ' ARG . 1.2 m -74.5 137.39 42.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.841 0.353 . . . . 1.0 110.537 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 69' ' ' ARG . 76.1 m-20 -69.34 -20.19 63.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.624 -176.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.61 ' H ' HG22 ' A' ' 48' ' ' THR . 62.6 ttp180 -148.76 119.07 7.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.018 0.437 . . . . 1.0 111.017 -178.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 167' ' ' VAL . 9.5 p -147.0 135.3 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.828 -0.624 . . . . 1.0 109.87 176.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.5 pttt -144.54 153.92 42.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.022 0.439 . . . . 1.0 111.258 -177.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.656 HG12 ' HB3' ' A' ' 66' ' ' ALA . 9.7 p -96.66 136.7 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.668 -0.696 . . . . 1.0 109.889 177.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.641 ' HB2' HBB1 ' A' ' 301' ' ' CYC . 18.1 t80 -120.3 119.89 34.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.935 0.398 . . . . 1.0 111.257 -177.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -95.53 164.31 12.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.988 -0.551 . . . . 1.0 109.89 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -131.3 144.51 51.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.994 0.426 . . . . 1.0 110.827 -178.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 61' ' ' HIS . 17.6 m-20 -115.55 135.05 22.57 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.319 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -45.22 -28.38 3.55 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.712 2.275 . . . . 1.0 112.03 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -75.11 -6.68 50.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.437 -178.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.31 18.99 31.62 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.787 -0.925 . . . . 1.0 110.787 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.476 ' O ' ' N ' ' A' ' 57' ' ' ASP . 76.0 m80 -114.29 139.11 49.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.914 0.387 . . . . 1.0 110.646 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.419 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -132.24 153.55 20.62 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.652 -0.979 . . . . 1.0 110.652 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.493 HG22 HG22 ' A' ' 81' ' ' THR . 63.9 p -138.99 158.73 43.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.771 0.32 . . . . 1.0 110.813 -178.154 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.6 t -102.44 116.79 46.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.238 175.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.3 m -106.44 2.65 10.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.809 -175.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.656 ' HB3' HG12 ' A' ' 53' ' ' VAL . . . -157.43 146.43 19.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.887 0.375 . . . . 1.0 110.915 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 87.3 tt0 -169.64 127.99 0.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.29 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.65 151.44 51.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.765 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.548 ' O ' ' NH1' ' A' ' 43' ' ' ARG . 0.6 OUTLIER -137.38 145.87 43.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.441 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -93.18 23.71 28.37 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 177.07 -114.02 0.45 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.786 -0.926 . . . . 1.0 110.786 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -178.17 38.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.875 0.369 . . . . 1.0 110.619 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -75.36 -57.46 3.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.458 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 30.5 mt -91.65 146.5 33.26 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.541 177.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -68.44 166.68 24.76 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.793 2.329 . . . . 1.0 112.06 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 57.5 p -92.47 138.61 31.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.68 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.0 mt -114.12 -10.15 12.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.467 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.404 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 22.8 tp -41.41 137.35 1.51 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.561 -178.124 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.0 -0.18 72.31 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.434 ' HA ' HD12 ' A' ' 80' ' ' LEU . 18.8 tp -94.3 130.21 40.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.327 . . . . 1.0 110.553 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.493 HG22 HG22 ' A' ' 63' ' ' THR . 3.8 p -99.89 130.34 46.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.585 178.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.469 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 13.9 m-85 -103.71 147.08 33.7 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.526 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -78.98 145.45 19.63 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.811 2.341 . . . . 1.0 112.159 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.6 -38.24 80.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.654 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.74 -21.43 4.9 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.404 ' OD1' ' NC ' ' A' ' 301' ' ' CYC . 41.0 t0 -61.38 -29.72 70.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 1.0 110.601 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.59 HD11 HMB2 ' A' ' 301' ' ' CYC . 44.5 mm -112.77 99.11 47.08 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.472 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.542 ' O ' ' O ' ' A' ' 87' ' ' ILE . 76.2 Cg_exo -47.93 -122.61 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.807 2.338 . . . . 1.0 112.214 178.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -154.18 -47.95 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.573 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -60.24 -38.42 83.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.544 -178.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.98 -39.42 79.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.573 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.553 HH21 ' CG2' ' A' ' 87' ' ' ILE . 29.9 ttm180 -68.74 -23.83 64.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.562 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' ' 97' ' ' LEU . 27.1 mmt180 -59.84 -54.16 49.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.531 -178.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.514 ' O ' ' N ' ' A' ' 98' ' ' ALA . 23.4 mt -51.03 -38.58 52.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.472 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.452 ' HE2' HG11 ' A' ' 153' ' ' VAL . 7.9 m-85 -67.0 -35.4 79.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.742 178.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 73.5 mtm-85 -87.29 -17.2 33.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.716 178.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 93' ' ' ARG . 5.8 tp -101.37 -49.07 4.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.248 -177.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -102.78 -13.0 17.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.416 -176.262 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.501 ' C ' ' O ' ' A' ' 98' ' ' ALA . 90.5 mt-30 33.78 64.89 0.32 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.394 178.471 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.701 HG22 HG22 ' A' ' 102' ' ' VAL . 9.9 p -98.91 -50.63 10.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.827 177.26 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.687 ' N ' HG13 ' A' ' 100' ' ' VAL . 1.5 mtm105 62.22 52.89 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.302 172.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.701 HG22 HG22 ' A' ' 100' ' ' VAL . 13.1 m -148.75 126.91 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.66 178.274 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.679 HD12 ' N ' ' A' ' 103' ' ' ILE . 1.9 mp -108.92 134.68 50.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.741 177.273 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.676 HG22 ' N ' ' A' ' 105' ' ' ASP . 12.5 p -80.35 169.22 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.282 -177.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.676 ' N ' HG22 ' A' ' 104' ' ' VAL . 3.5 m-20 -47.64 120.63 3.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.466 -178.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.7 p -59.67 -14.31 6.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.495 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -80.0 -31.55 39.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.302 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.66 -10.92 1.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.356 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 50.8 62.59 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.648 179.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.44 135.13 33.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.357 174.501 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -117.62 127.96 54.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.825 -176.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.576 ' O ' HG23 ' A' ' 113' ' ' ILE . 11.0 t -117.06 157.2 26.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.244 176.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.576 HG23 ' O ' ' A' ' 112' ' ' SER . 18.7 pt -159.13 166.95 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.835 -178.519 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 60.5 p -74.94 173.88 10.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.761 178.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.551 ' O ' ' N ' ' A' ' 117' ' ' GLU . 33.9 tp60 -169.86 80.68 0.63 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.444 -179.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -41.95 83.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.807 0 C-N-CA 122.863 2.376 . . . . 1.0 112.235 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.551 ' N ' ' O ' ' A' ' 115' ' ' GLN . 85.1 tt0 -167.04 152.26 7.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.595 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.536 ' O ' ' N ' ' A' ' 120' ' ' GLY . 66.6 m -42.78 -98.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.613 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.544 ' CG ' ' O ' ' A' ' 119' ' ' TRP . 75.1 t-105 39.05 24.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.546 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' A' ' 118' ' ' SER . . . -143.92 -18.75 0.21 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 36.4 tp -90.53 119.42 30.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.836 0.35 . . . . 1.0 110.619 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 66.9 p -158.4 164.91 35.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.551 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.426 ' O ' ' HB2' ' A' ' 124' ' ' ARG . . . -67.93 -63.47 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.609 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.426 ' HB2' ' O ' ' A' ' 123' ' ' ALA . 78.9 ttt180 177.41 82.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.532 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.73 93.08 42.99 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.503 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -52.79 136.9 59.96 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.771 2.314 . . . . 1.0 112.09 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.435 ' O ' ' OE2' ' A' ' 129' ' ' GLU . 17.8 mt 61.29 -139.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.565 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 91.77 3.32 68.59 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -115.5 171.15 4.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 1.0 110.602 179.562 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.472 ' O ' ' NH2' ' A' ' 133' ' ' ARG . 78.5 Cg_exo -48.76 162.06 0.42 Allowed 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.871 2.38 . . . . 1.0 112.122 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 32.2 mt -70.91 -4.2 23.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.417 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -133.57 168.92 17.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.445 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.505 ' HE ' ' HA ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -131.7 87.33 46.0 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.628 -179.103 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_exo -49.28 141.48 24.11 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.827 2.351 . . . . 1.0 111.947 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 12.2 m -125.96 135.17 64.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.508 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 112' ' ' SER . 1.5 m-20 -43.5 151.31 0.47 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.454 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -46.77 -16.24 0.26 Allowed 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.891 2.394 . . . . 1.0 111.918 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.44 ' SG ' ' CHD' ' A' ' 301' ' ' CYC . 0.5 OUTLIER -58.54 -47.83 82.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.453 178.488 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.926 ' CE1' HD11 ' A' ' 143' ' ' LEU . 15.5 t-80 -77.15 -30.17 54.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.262 -178.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 53.8 t -50.59 -65.92 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.519 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -60.26 -39.32 86.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.457 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -46.72 -49.91 18.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.478 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.926 HD11 ' CE1' ' A' ' 139' ' ' HIS . 88.2 mt -67.58 -51.44 50.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.386 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -57.65 -40.66 79.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.46 -178.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 24.3 t -55.89 -28.54 57.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.459 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.549 ' SD ' ' NH2' ' A' ' 50' ' ' ARG . 28.6 mtt -91.07 -0.16 57.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.435 177.451 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 68.85 24.89 75.55 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.526 HG12 ' O ' ' A' ' 150' ' ' SER . 4.9 t -108.62 123.02 64.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.754 0.312 . . . . 1.0 110.639 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -83.36 -36.75 24.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.289 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.526 ' O ' HG12 ' A' ' 148' ' ' VAL . 49.5 m -103.83 149.96 24.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.069 -177.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.3 p -145.07 109.13 4.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.915 0.388 . . . . 1.0 111.104 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 49.3 tp -105.07 134.31 48.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.015 178.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.582 HG13 ' HB3' ' A' ' 101' ' ' ARG . 9.9 p -129.13 153.28 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.063 0.459 . . . . 1.0 111.222 -178.493 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.424 ' O ' ' HB3' ' A' ' 166' ' ' LEU . 88.1 t -153.67 81.42 4.86 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 115.673 -0.694 . . . . 1.0 109.909 -178.492 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -52.49 151.14 19.14 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.932 2.422 . . . . 1.0 112.686 -177.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 29.4 mt -116.57 96.82 5.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.209 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 17.7 ptm -110.42 135.88 50.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.796 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' HIS . . . . . 0.514 ' CE1' ' NE2' ' A' ' 159' ' ' HIS . 7.1 t-80 -113.36 125.28 54.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.354 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.514 ' NE2' ' CE1' ' A' ' 158' ' ' HIS . 41.1 m170 64.72 -110.58 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.352 -178.258 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -119.22 2.06 11.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.425 -179.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -115.01 165.26 13.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.617 -177.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 12.2 tp -105.35 119.84 40.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.421 177.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' TRP . . . . . 0.406 ' CD1' ' N ' ' A' ' 163' ' ' TRP . 32.8 m95 -103.0 -41.8 6.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.863 -177.238 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -141.9 173.77 23.46 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.2 -0.76 . . . . 1.0 111.2 -178.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 3.9 tp -145.61 129.97 17.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.79 0.329 . . . . 1.0 110.405 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.424 ' HB3' ' O ' ' A' ' 154' ' ' VAL . 21.4 tp -103.33 146.66 28.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.617 178.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.45 ' O ' HG23 ' A' ' 51' ' ' VAL . 14.7 p -150.96 139.0 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.772 -179.192 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.6 143.27 50.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.381 178.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 169' ' ' HIS . . . . . 0.575 ' ND1' ' N ' ' A' ' 169' ' ' HIS . 0.0 OUTLIER -138.7 132.91 31.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.824 -179.659 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 170' ' ' HIS . . . . . 0.629 ' CG ' ' N ' ' A' ' 171' ' ' ALA . 58.1 t60 -170.69 168.8 7.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.443 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.629 ' N ' ' CG ' ' A' ' 170' ' ' HIS . . . -52.1 -163.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.599 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -115.62 82.85 10.5 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.589 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -86.24 71.55 4.08 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.849 2.366 . . . . 1.0 112.118 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 53.1 mtt-85 63.49 150.7 0.11 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.491 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -48.35 169.94 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.791 2.328 . . . . 1.0 112.029 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -113.0 148.94 34.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.591 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 69.4 p -95.18 138.83 32.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.525 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 22.9 pt20 -68.27 -31.4 70.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.598 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -60.22 -46.72 88.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.482 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -70.53 -29.7 66.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.465 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 31.7 tp -61.2 -31.9 71.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.428 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -70.68 -53.7 14.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.335 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 59.4 t -42.6 -47.84 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.145 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 184' ' ' VAL . . . . . 0.537 HG11 ' CD2' ' A' ' 46' ' ' LEU . 27.1 m -75.41 -35.49 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.192 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.551 ' OE1' ' NH1' ' A' ' 101' ' ' ARG . 51.0 tp60 -46.74 -39.03 10.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.076 178.451 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 186' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 186' ' ' LEU . 11.0 mp -72.83 -34.7 67.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.073 177.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 187' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 184' ' ' VAL . 25.7 tp -55.99 -34.52 65.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.123 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 188' ' ' ALA . . . . . 0.413 ' HB2' HG11 ' A' ' 154' ' ' VAL . . . -75.78 -36.92 59.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.098 178.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -54.92 -39.89 69.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.146 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -53.57 -51.4 63.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.163 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 84.4 t -54.24 -42.57 57.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.009 -0.542 . . . . 1.0 110.189 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 4.8 t -49.5 -36.37 22.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.093 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 193' ' ' ILE . . . . . 0.471 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -80.7 -31.66 12.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.165 178.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -69.77 -47.43 62.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.303 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 2.2 pp -65.52 -33.51 64.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.238 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.481 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.77 -55.51 5.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.356 178.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -57.18 -25.61 59.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.342 178.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -75.01 -35.77 61.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.455 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -53.54 -39.47 64.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.417 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 42.9 tp -56.26 -63.64 1.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.499 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 85.6 p -62.47 -46.88 86.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.504 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 14.2 tp . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.029 -0.986 . . . . 1.0 110.491 179.774 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 301' ' ' CYC . . . . . 0.641 HBB1 ' HB2' ' A' ' 54' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.561 HD21 ' CZ ' ' A' ' 55' ' ' ARG . 15.2 tp . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.827 0.346 . . . . 1.0 110.553 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -67.43 -31.75 72.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.555 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -76.85 -53.57 7.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.556 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.685 ' O ' HG23 ' A' ' 38' ' ' THR . 4.3 tp -59.58 -30.18 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.577 -178.351 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.665 ' CD1' HH22 ' A' ' 55' ' ' ARG . 76.6 mt -76.42 -26.01 55.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.617 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.589 ' O ' HG12 ' A' ' 39' ' ' VAL . 38.6 ttp180 -61.83 -37.02 82.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.559 179.097 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.81 -26.09 37.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.605 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.685 HG23 ' O ' ' A' ' 34' ' ' ILE . 72.3 p -68.97 -47.14 66.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.623 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 36' ' ' ARG . 3.8 p -55.16 -38.78 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.656 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.455 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 97.5 mt-10 -75.39 -40.06 58.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.574 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -64.7 -51.16 63.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.513 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.2 t -61.52 -53.61 46.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.529 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 47' ' ' GLY . 2.2 tmm_? -47.39 -39.35 15.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.59 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.98 -36.64 77.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.577 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -76.71 -47.66 21.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.6 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.612 ' N ' HD12 ' A' ' 46' ' ' LEU . 9.5 mp -77.82 -2.53 36.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.533 177.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.83 19.56 0.02 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.642 ' HG1' ' CE1' ' A' ' 170' ' ' HIS . 1.5 m -72.39 138.33 47.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.807 0.337 . . . . 1.0 110.595 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.646 ' CB ' ' HE ' ' A' ' 73' ' ' ARG . 77.3 m-20 -54.6 -40.39 68.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.642 -177.544 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.502 ' H ' HG22 ' A' ' 48' ' ' THR . 49.7 ttp180 -139.09 126.81 21.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.012 0.434 . . . . 1.0 110.971 -176.058 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.466 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 4.8 t -142.47 133.8 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.812 -0.631 . . . . 1.0 109.85 176.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 46.9 pttt -144.0 159.77 42.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.092 0.473 . . . . 1.0 111.178 -178.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.624 HG12 ' HB3' ' A' ' 66' ' ' ALA . 9.4 p -110.25 139.49 33.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.669 -0.696 . . . . 1.0 109.856 178.551 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.533 ' HB2' HBB1 ' A' ' 301' ' ' CYC . 11.2 t80 -123.79 123.26 40.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.916 0.389 . . . . 1.0 111.184 -177.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.665 HH22 ' CD1' ' A' ' 35' ' ' LEU . 30.9 ttm-85 -95.14 163.67 13.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.927 -0.579 . . . . 1.0 109.932 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.415 ' H ' ' HG2' ' A' ' 55' ' ' ARG . 83.2 t80 -129.74 145.68 51.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.943 0.401 . . . . 1.0 110.822 -178.286 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 61' ' ' HIS . 18.3 t70 -117.26 135.37 23.13 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.291 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -45.1 -28.33 3.28 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.711 2.274 . . . . 1.0 112.072 179.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -74.27 -5.61 43.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.436 -178.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.41 17.11 43.71 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.789 -0.924 . . . . 1.0 110.789 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.487 ' O ' ' N ' ' A' ' 57' ' ' ASP . 95.6 m-70 -117.25 143.78 45.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 1.0 110.693 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.44 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -138.46 160.98 25.67 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.595 -1.002 . . . . 1.0 110.595 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 75.0 p -139.71 159.43 42.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.82 0.343 . . . . 1.0 110.733 -178.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.3 t -99.45 115.81 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.207 176.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.42 HG21 ' NH2' ' A' ' 55' ' ' ARG . 23.5 m -101.94 3.92 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.898 -177.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.624 ' HB3' HG12 ' A' ' 53' ' ' VAL . . . -162.83 149.39 12.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.387 . . . . 1.0 110.869 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.512 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 88.0 tt0 -167.34 128.92 1.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.268 -178.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.466 ' O ' ' HA ' ' A' ' 50' ' ' ARG . . . -118.22 150.14 39.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.815 176.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.5 ptt-85 -137.06 142.64 42.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.508 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.473 ' C ' ' H ' ' A' ' 72' ' ' GLU . . . -96.12 -108.34 2.39 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.374 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.33 2.22 2.44 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.774 -0.93 . . . . 1.0 110.774 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.473 ' H ' ' C ' ' A' ' 70' ' ' GLY . 68.2 tt0 63.3 55.18 1.89 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.745 0.307 . . . . 1.0 110.571 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.646 ' HE ' ' CB ' ' A' ' 49' ' ' ASP . 7.5 ptp180 -84.81 -16.56 41.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.527 177.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.477 HD21 ' O ' ' A' ' 146' ' ' MET . 10.7 mt -136.49 128.8 17.32 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.513 179.614 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -49.29 172.41 0.06 OUTLIER 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.801 2.334 . . . . 1.0 112.07 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.8 p -88.85 122.66 32.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.743 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 41.0 mt -96.38 -7.66 34.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.459 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.512 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 6.0 tp -45.74 135.1 7.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.517 -178.48 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.52 -0.29 74.06 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.856 -0.897 . . . . 1.0 110.856 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.9 tp -93.83 128.86 40.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.847 0.356 . . . . 1.0 110.53 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.488 ' O ' HG23 ' A' ' 81' ' ' THR . 10.1 t -95.45 125.95 40.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.652 178.347 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -95.84 144.67 28.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.497 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -81.41 132.89 8.24 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.896 2.397 . . . . 1.0 112.14 178.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -46.49 -35.07 5.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.648 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.95 -24.36 6.3 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.969 -0.852 . . . . 1.0 110.969 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.648 ' OD2' HMB3 ' A' ' 301' ' ' CYC . 53.6 t0 -48.82 -25.77 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 1.0 110.584 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.0 pt -130.52 136.05 28.35 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.583 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.656 ' CD ' HAD1 ' A' ' 301' ' ' CYC . 72.3 Cg_endo -74.52 -107.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.869 2.379 . . . . 1.0 112.102 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.507 ' O ' ' NH1' ' A' ' 93' ' ' ARG . 23.1 pt-20 -166.68 -29.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.535 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 91' ' ' ALA . 11.4 pt-20 -73.14 -45.25 57.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.571 -179.463 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.474 ' N ' ' CG ' ' A' ' 90' ' ' GLU . . . -59.24 -31.81 69.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.549 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.473 HH21 HD22 ' A' ' 162' ' ' LEU . 65.4 mtp180 -70.43 -22.88 62.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.527 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.528 ' O ' ' N ' ' A' ' 97' ' ' LEU . 72.6 mmt-85 -56.24 -59.81 4.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.506 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.436 ' CD1' ' CZ ' ' A' ' 133' ' ' ARG . 15.4 mt -54.69 -36.54 64.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.548 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.58 ' C ' HH12 ' A' ' 101' ' ' ARG . 8.9 m-85 -65.9 -52.27 51.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.702 179.133 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -76.17 -18.04 59.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.674 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 93' ' ' ARG . 25.1 tp -91.07 -46.89 7.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.28 -178.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -103.78 -39.73 6.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.361 -176.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.435 ' CG ' ' O ' ' A' ' 95' ' ' PHE . 94.8 mt-30 63.91 68.76 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.308 177.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.615 ' C ' ' HG2' ' A' ' 101' ' ' ARG . 15.4 m -107.49 -42.48 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.819 176.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.615 ' HG2' ' C ' ' A' ' 100' ' ' VAL . 0.1 OUTLIER 62.34 55.67 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.328 175.149 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.592 ' C ' HD12 ' A' ' 103' ' ' ILE . 69.2 t -148.61 125.46 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.615 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.592 HD12 ' C ' ' A' ' 102' ' ' VAL . 1.7 mp -109.49 137.05 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.739 176.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.665 HG22 ' N ' ' A' ' 105' ' ' ASP . 12.8 p -79.52 168.97 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.302 -178.004 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.665 ' N ' HG22 ' A' ' 104' ' ' VAL . 3.5 m-20 -48.41 124.05 7.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.4 -178.608 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.2 m -63.61 -14.01 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.535 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.412 ' C ' ' H ' ' A' ' 109' ' ' GLN . 2.8 pt-20 -79.89 -30.98 40.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.321 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.45 -7.92 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.319 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.412 ' H ' ' C ' ' A' ' 107' ' ' GLU . 90.3 mt-30 48.08 59.35 4.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.718 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.83 138.98 30.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.363 175.431 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -122.26 133.07 54.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.78 -176.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.521 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 1.2 t -143.36 118.09 9.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.185 177.574 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.589 HG22 ' H ' ' A' ' 114' ' ' SER . 0.8 OUTLIER -121.47 -164.7 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.804 -179.574 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.589 ' H ' HG22 ' A' ' 113' ' ' ILE . 9.2 t -75.65 171.59 14.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.703 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -148.27 152.14 38.55 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.516 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -36.52 145.83 0.08 OUTLIER 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.788 2.325 . . . . 1.0 112.211 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 46.37 91.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.586 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 87.6 p -61.57 -26.91 68.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.678 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 73.9 t-105 -86.06 130.89 34.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.595 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 169.95 -172.16 43.69 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.873 -0.891 . . . . 1.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 21.5 mt 53.41 17.65 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.728 0.299 . . . . 1.0 110.568 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 83.4 p -63.37 -23.26 67.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.563 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.6 -19.26 63.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.611 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 63.91 55.7 1.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.526 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 24.8 m -67.34 137.27 93.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.551 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -74.32 138.48 24.88 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.79 2.327 . . . . 1.0 112.059 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 27.1 mt 40.13 -144.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.658 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 86.05 11.94 72.06 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -120.14 155.43 55.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.381 . . . . 1.0 110.614 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -61.78 162.25 22.45 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.874 2.383 . . . . 1.0 112.11 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.5 tp -70.66 -4.28 22.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.492 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLN . . . . . 0.447 ' OE1' HG23 ' A' ' 104' ' ' VAL . 26.4 mt-30 -132.16 170.08 15.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.459 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.436 ' CZ ' ' CD1' ' A' ' 94' ' ' LEU . 6.3 mmm180 -135.29 92.49 17.77 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.713 -179.426 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -51.21 145.36 26.85 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.778 2.319 . . . . 1.0 112.003 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.836 HG21 ' ND1' ' A' ' 139' ' ' HIS . 34.5 m -126.48 135.48 63.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.581 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.663 ' OD1' HBD1 ' A' ' 301' ' ' CYC . 0.0 OUTLIER -41.86 156.65 0.22 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.467 179.503 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -57.07 -47.02 24.86 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.82 2.346 . . . . 1.0 111.897 -178.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.554 ' SG ' HMD2 ' A' ' 301' ' ' CYC . 0.4 OUTLIER -49.8 -25.46 3.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.351 179.61 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.836 ' ND1' HG21 ' A' ' 135' ' ' VAL . 42.5 t-80 -87.83 -42.94 12.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.254 176.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 59.3 t -49.93 -49.32 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.557 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -65.72 -39.63 91.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.461 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -46.15 -49.61 16.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.405 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.91 -48.42 63.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.418 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -57.13 -41.62 79.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.492 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 28.1 t -53.17 -27.5 21.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.521 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.477 ' O ' HD21 ' A' ' 74' ' ' LEU . 46.1 mtt -88.99 2.94 53.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.455 178.256 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 67.87 22.11 73.66 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 150' ' ' SER . 4.4 t -107.1 118.32 54.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.783 0.325 . . . . 1.0 110.708 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -79.96 -34.29 38.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.251 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.581 ' O ' HG12 ' A' ' 148' ' ' VAL . 30.7 t -108.8 143.44 37.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.074 -178.151 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 12.5 p -138.48 106.15 5.61 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.696 -0.402 . . . . 1.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 56.4 tp -98.45 126.26 43.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.99 -0.55 . . . . 1.0 109.973 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.722 HG23 HG22 ' A' ' 167' ' ' VAL . 10.6 p -120.99 147.15 25.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.058 0.456 . . . . 1.0 111.19 -179.163 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.419 ' CG2' ' C ' ' A' ' 153' ' ' VAL . 2.2 t -151.55 75.03 7.92 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 115.736 -0.665 . . . . 1.0 110.024 -177.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 155' ' ' PRO . . . . . 0.623 ' HD3' HG22 ' A' ' 153' ' ' VAL . 50.7 Cg_exo -49.56 154.62 4.24 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.948 2.432 . . . . 1.0 112.696 -177.131 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 58.0 mt -117.53 100.25 7.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.183 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 16.2 ptm -114.31 135.88 53.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.751 -178.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' HIS . . . . . 0.623 ' ND1' ' NE2' ' A' ' 159' ' ' HIS . 3.5 t-80 -116.76 124.66 50.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.397 177.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.623 ' NE2' ' ND1' ' A' ' 158' ' ' HIS . 63.2 m-70 70.55 -110.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.443 -178.208 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -121.34 0.41 10.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.41 -178.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -116.61 165.22 13.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.541 -177.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.473 HD22 HH21 ' A' ' 92' ' ' ARG . 4.0 mp -105.08 121.53 43.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.478 178.072 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 163' ' ' TRP . . . . . 0.437 ' CE3' ' OE2' ' A' ' 199' ' ' GLU . 79.1 m95 -103.28 -41.5 6.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.901 -177.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -138.31 -178.81 16.51 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.241 -0.744 . . . . 1.0 111.241 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.2 tp -149.18 126.11 11.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.703 0.287 . . . . 1.0 110.441 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.412 ' HB3' ' O ' ' A' ' 154' ' ' VAL . 12.1 tp -105.93 142.99 34.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.597 177.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.722 HG22 HG23 ' A' ' 153' ' ' VAL . 71.0 t -152.46 146.43 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.78 -177.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.685 ' C ' ' HD1' ' A' ' 169' ' ' HIS . 1.1 m -128.46 138.58 52.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.354 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 169' ' ' HIS . . . . . 0.685 ' HD1' ' C ' ' A' ' 168' ' ' SER . 0.3 OUTLIER -133.89 140.07 46.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.762 -179.252 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 170' ' ' HIS . . . . . 0.642 ' CE1' ' HG1' ' A' ' 48' ' ' THR . 1.1 p-80 -173.7 172.74 3.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.487 -178.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.531 ' O ' ' O ' ' A' ' 170' ' ' HIS . . . -51.85 -160.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.56 178.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 172' ' ' GLU . . . . . 0.564 ' OE1' ' N ' ' A' ' 172' ' ' GLU . 0.0 OUTLIER -114.48 82.32 7.61 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.568 179.315 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 173' ' ' PRO . . . . . 0.449 ' O ' ' O ' ' A' ' 174' ' ' ARG . 94.1 Cg_endo -84.52 73.78 4.42 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.834 2.356 . . . . 1.0 112.069 178.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' A' ' 173' ' ' PRO . 57.9 mtt85 56.87 154.63 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.446 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -48.45 170.02 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.795 2.33 . . . . 1.0 112.045 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 176' ' ' TYR . . . . . 0.432 ' HE1' ' HG ' ' A' ' 150' ' ' SER . 0.1 OUTLIER -109.27 143.92 38.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.592 179.457 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 33.1 t -92.1 136.08 33.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.58 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -66.75 -38.38 86.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.546 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -60.33 -53.25 59.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.492 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -65.1 -31.51 72.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.46 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 26.5 tp -60.56 -41.26 94.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.384 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -57.99 -53.13 61.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.314 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 57.8 t -43.9 -46.67 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.156 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 184' ' ' VAL . . . . . 0.417 HG13 HD11 ' A' ' 46' ' ' LEU . 77.3 t -74.19 -38.66 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.21 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -47.03 -38.77 11.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.051 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 57.9 mt -73.72 -32.99 64.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.027 178.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 187' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 187' ' ' LEU . 24.3 tp -56.38 -32.62 64.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.116 179.105 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 188' ' ' ALA . . . . . 0.405 ' HB2' HG11 ' A' ' 154' ' ' VAL . . . -74.6 -39.58 62.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.049 178.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -56.37 -41.54 76.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.182 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 190' ' ' GLN . . . . . 0.469 ' O ' HG22 ' A' ' 193' ' ' ILE . 0.7 OUTLIER -53.33 -55.1 27.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.121 178.865 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 191' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 194' ' ' ALA . 97.2 t -53.51 -41.8 46.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.092 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 3.8 p -47.83 -30.31 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.114 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 193' ' ' ILE . . . . . 0.469 HG22 ' O ' ' A' ' 190' ' ' GLN . 1.1 tp -80.65 -32.56 13.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.172 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 194' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 191' ' ' VAL . . . -71.14 -46.13 62.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.299 -179.427 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 16.7 tt -65.18 -33.15 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.26 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.484 ' HB2' ' CD2' ' A' ' 158' ' ' HIS . . . -75.83 -56.23 4.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.326 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -57.63 -24.71 57.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.363 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -73.96 -37.58 64.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.414 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 199' ' ' GLU . . . . . 0.437 ' OE2' ' CE3' ' A' ' 163' ' ' TRP . 91.0 mt-10 -53.46 -39.13 64.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.414 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 200' ' ' LEU . . . . . 0.617 ' N ' HD12 ' A' ' 200' ' ' LEU . 9.7 mp -56.97 -64.41 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.544 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 22.9 t -73.26 -63.87 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.436 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 31' ' ' LEU . 19.3 mt . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.934 -1.031 . . . . 1.0 110.532 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 301' ' ' CYC . . . . . 0.663 HBD1 ' OD1' ' A' ' 136' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.473 HD11 HD12 ' A' ' 195' ' ' ILE . 7.8 tp . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.839 0.352 . . . . 1.0 110.645 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.0 p-10 -70.45 -31.77 69.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.597 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -79.12 -47.12 16.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.511 -178.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.9 tp -66.98 -27.94 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.55 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.61 ' O ' HG22 ' A' ' 38' ' ' THR . 82.3 mt -80.02 -22.97 41.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.623 -179.412 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -75.53 -35.13 60.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.538 178.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.48 -32.71 32.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.631 -177.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 35' ' ' LEU . 5.4 t -64.47 -45.04 89.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.624 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.55 ' N ' HG23 ' A' ' 38' ' ' THR . 53.9 t -58.57 -39.15 74.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.666 178.488 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.81 -38.22 76.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.588 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -62.59 -45.15 94.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.463 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.6 t -64.73 -40.31 88.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.525 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.567 ' O ' ' N ' ' A' ' 47' ' ' GLY . 61.9 ttp85 -51.77 -47.61 64.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.515 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.11 -36.03 76.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.513 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -79.03 -52.82 7.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.531 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 48' ' ' THR . 1.1 tp -78.93 -4.19 48.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.597 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.567 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 42.65 21.01 0.08 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 177.561 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.557 ' OG1' ' ND1' ' A' ' 170' ' ' HIS . 6.8 t -74.39 137.38 42.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.783 0.325 . . . . 1.0 110.626 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 50' ' ' ARG . 16.9 p30 -72.03 -14.91 62.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.564 -176.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.533 ' NH2' ' O ' ' A' ' 75' ' ' PRO . 14.7 ttt180 -151.77 118.05 5.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.977 0.417 . . . . 1.0 111.049 -178.499 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.5 ' HB ' HG21 ' A' ' 48' ' ' THR . 2.3 p -153.64 137.37 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.913 -0.585 . . . . 1.0 109.905 176.222 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.46 ' HE2' HAB2 ' A' ' 301' ' ' CYC . 11.7 pttm -147.26 160.39 42.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.003 0.43 . . . . 1.0 111.299 -178.537 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.454 HG12 ' HB3' ' A' ' 66' ' ' ALA . 5.1 p -97.43 138.68 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.741 -0.663 . . . . 1.0 109.882 178.032 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.428 ' O ' ' N ' ' A' ' 165' ' ' LEU . 30.5 t80 -121.03 118.78 30.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.91 0.386 . . . . 1.0 111.264 -177.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -95.83 162.03 13.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.961 -0.563 . . . . 1.0 109.885 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.525 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 89.4 t80 -128.85 145.61 51.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.902 0.382 . . . . 1.0 110.892 -178.136 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.525 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 24.3 m-20 -115.45 148.25 40.51 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.256 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -60.52 -21.83 69.85 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.673 2.249 . . . . 1.0 112.056 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -80.34 -6.16 57.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.447 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.36 22.19 27.61 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.765 -0.934 . . . . 1.0 110.765 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -116.48 138.62 51.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.898 0.38 . . . . 1.0 110.719 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -128.83 149.83 18.55 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.592 -1.003 . . . . 1.0 110.592 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.7 p -133.61 154.42 50.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.851 0.358 . . . . 1.0 110.716 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.8 t -98.73 114.63 36.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.223 175.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.677 HG22 ' O ' ' A' ' 65' ' ' VAL . 5.8 p -104.85 1.59 10.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.827 -175.371 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.454 ' HB3' HG12 ' A' ' 53' ' ' VAL . . . -160.37 147.36 15.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.378 . . . . 1.0 110.919 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.469 ' OE2' ' O ' ' A' ' 68' ' ' ALA . 7.8 tp10 -166.68 127.25 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.943 -0.572 . . . . 1.0 110.272 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.469 ' O ' ' OE2' ' A' ' 67' ' ' GLU . . . -131.48 150.24 52.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.82 178.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.533 ' NH2' ' O ' ' A' ' 71' ' ' GLY . 2.9 ptm180 -147.51 153.51 39.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.401 -179.319 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.75 -49.08 1.55 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.834 -0.906 . . . . 1.0 110.834 179.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.533 ' O ' ' NH2' ' A' ' 69' ' ' ARG . . . -98.25 -138.65 10.34 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.748 -0.941 . . . . 1.0 110.748 178.387 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.553 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -166.22 58.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.807 0.337 . . . . 1.0 110.542 178.867 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.543 ' NH1' ' HB2' ' A' ' 171' ' ' ALA . 16.4 ptp180 -89.0 -15.75 33.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.516 177.451 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.4 mt -134.4 163.26 52.43 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.506 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.533 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 6.3 Cg_exo -80.22 173.13 12.9 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.726 2.284 . . . . 1.0 112.06 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.6 p -91.24 133.92 35.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.684 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.527 ' CD1' ' NH2' ' A' ' 50' ' ' ARG . 15.3 mt -107.55 -6.55 16.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.477 -178.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 40.3 tp -48.74 136.92 12.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.498 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.37 -0.62 83.57 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.3 tp -97.28 131.63 43.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 1.0 110.511 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.74 125.08 38.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.654 178.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -96.12 142.4 24.52 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.516 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -78.94 138.55 14.72 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.78 2.32 . . . . 1.0 112.203 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.61 -32.98 63.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.633 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.98 -23.74 3.91 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.984 -0.846 . . . . 1.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -48.8 -20.56 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.778 0.323 . . . . 1.0 110.543 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.401 HG21 HD13 ' A' ' 87' ' ' ILE . 29.4 pt -144.59 144.74 25.93 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.527 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -78.85 -97.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.91 2.406 . . . . 1.0 112.105 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.415 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 21.7 pt-20 -170.94 -41.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.595 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.415 ' N ' ' CG ' ' A' ' 89' ' ' GLU . 21.8 pt-20 -54.45 -40.36 68.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.577 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.4 ' N ' ' CG ' ' A' ' 90' ' ' GLU . . . -63.59 -34.71 78.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.51 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -68.21 -23.02 64.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.529 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 97' ' ' LEU . 29.4 mmt180 -57.85 -56.35 23.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.526 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.58 ' O ' ' N ' ' A' ' 98' ' ' ALA . 32.9 mt -53.11 -36.48 60.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.502 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -67.56 -36.32 80.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.724 178.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -86.54 -22.03 26.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.693 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 123' ' ' ALA . 9.9 mp -103.92 -47.95 4.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.248 -177.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.58 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -95.02 -17.16 22.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.508 -176.344 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.501 ' C ' ' O ' ' A' ' 98' ' ' ALA . 91.4 mt-30 33.06 62.93 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.391 178.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.615 HG13 ' N ' ' A' ' 101' ' ' ARG . 12.4 p -117.46 -46.63 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.812 177.027 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.615 ' N ' HG13 ' A' ' 100' ' ' VAL . 0.0 OUTLIER 51.83 69.88 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.249 174.021 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.653 ' C ' HD12 ' A' ' 103' ' ' ILE . 11.6 p -143.79 124.89 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.584 179.347 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.653 HD12 ' C ' ' A' ' 102' ' ' VAL . 1.8 mp -109.16 131.34 60.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.694 179.404 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.463 HG22 ' H ' ' A' ' 104' ' ' VAL . 4.5 m -82.98 171.02 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.277 -178.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -50.9 121.07 5.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.462 -178.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.5 m -59.0 -9.86 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.534 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -79.68 -33.46 41.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.359 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.05 -9.91 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.358 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 47.23 58.39 4.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.717 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 p -87.7 139.9 30.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.419 175.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 43.2 ptt85 -123.04 132.93 54.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.798 -177.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.438 ' O ' ' OD2' ' A' ' 136' ' ' ASP . 0.1 OUTLIER -145.67 118.86 8.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.234 178.158 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 33.5 pt -120.42 -165.74 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.798 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 35.3 t -77.33 174.31 10.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.676 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.485 ' NE2' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -143.16 153.75 60.33 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.445 -179.86 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.96 -48.52 0.28 Allowed 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.858 2.372 . . . . 1.0 112.198 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.485 ' O ' ' NE2' ' A' ' 115' ' ' GLN . 95.4 mt-10 -98.62 154.3 18.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.607 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.0 t -68.69 159.8 31.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.591 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 63.9 t-105 -52.84 -35.91 58.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.564 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -163.19 -171.28 29.25 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.879 -0.888 . . . . 1.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 45.4 tp -54.78 -37.68 66.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.858 0.361 . . . . 1.0 110.558 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.3 m -117.11 141.5 48.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.507 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.44 ' O ' HD23 ' A' ' 97' ' ' LEU . . . -69.87 -30.78 68.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.569 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 -103.07 83.53 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.573 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 4.5 t -101.64 109.77 60.16 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.5 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 127' ' ' LEU . 84.7 Cg_exo -45.74 134.93 13.57 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.785 2.323 . . . . 1.0 112.1 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 126' ' ' PRO . 22.2 mt 35.35 -152.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.554 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.99 28.45 68.57 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.919 -0.872 . . . . 1.0 110.919 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -115.9 150.15 44.48 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.933 0.397 . . . . 1.0 110.534 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -48.42 162.8 0.3 Allowed 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.897 2.398 . . . . 1.0 112.138 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 35.6 mt -84.22 3.17 36.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.449 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -147.74 164.3 34.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.499 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.485 ' CD ' HD13 ' A' ' 94' ' ' LEU . 14.9 mmt-85 -122.18 85.37 46.6 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.671 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -54.63 143.99 66.27 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.789 2.326 . . . . 1.0 111.923 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.802 HG21 ' ND1' ' A' ' 139' ' ' HIS . 31.2 m -122.69 130.02 74.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.575 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.67 ' OD1' ' N ' ' A' ' 136' ' ' ASP . 0.0 OUTLIER -42.84 174.19 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.42 179.612 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 140' ' ' VAL . 13.6 Cg_exo -67.56 -48.91 1.35 Allowed 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.863 2.375 . . . . 1.0 111.924 -178.157 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.742 ' SG ' ' HHD' ' A' ' 301' ' ' CYC . 0.1 OUTLIER -47.57 -23.16 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.35 179.503 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.802 ' ND1' HG21 ' A' ' 135' ' ' VAL . 29.5 t-80 -88.41 -38.52 15.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.291 176.395 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 137' ' ' PRO . 68.7 t -50.43 -47.84 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.546 178.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -67.98 -42.35 80.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.494 178.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' TYR . . . . . 0.426 ' O ' ' OG ' ' A' ' 145' ' ' SER . 61.7 t80 -45.77 -54.74 7.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.494 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 51.4 mt -68.11 -50.95 51.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.388 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -55.1 -39.88 69.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.469 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 142' ' ' TYR . 59.1 p -54.91 -25.6 30.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.462 179.086 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 52.0 mtt -91.88 -0.35 57.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.423 178.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 67.96 22.18 73.87 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 148' ' ' VAL . 3.6 m -109.49 119.32 58.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.775 0.321 . . . . 1.0 110.676 179.148 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -88.47 -21.46 24.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.241 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.405 ' CB ' ' OH ' ' A' ' 176' ' ' TYR . 2.2 t -111.18 140.87 45.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.136 -179.106 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.4 t -145.79 118.05 8.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.92 0.39 . . . . 1.0 111.143 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 17.0 tp -115.27 135.69 53.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.006 -0.543 . . . . 1.0 109.995 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.48 155.55 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.12 0.486 . . . . 1.0 111.193 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.636 ' CG1' HD23 ' A' ' 166' ' ' LEU . 4.8 p -160.65 83.89 2.0 Allowed Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.633 -0.712 . . . . 1.0 109.936 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -50.83 156.26 4.83 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.922 2.415 . . . . 1.0 112.739 -176.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 28.7 mt -116.35 95.88 5.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.175 178.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 15.4 ptm -110.29 136.94 48.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.763 -177.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' HIS . . . . . 0.506 ' O ' ' HB3' ' A' ' 159' ' ' HIS . 20.0 t60 -120.43 122.84 41.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.341 177.076 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.506 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 25.2 t-80 77.63 -115.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.417 -177.655 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -121.0 1.81 10.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.376 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -117.03 166.18 12.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.621 -177.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 13.0 mt -105.66 123.75 48.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.479 178.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' TRP . . . . . 0.4 ' NE1' ' HB3' ' A' ' 158' ' ' HIS . 82.5 m95 -102.18 -35.57 8.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.906 -177.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -147.92 177.69 26.01 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.25 -0.74 . . . . 1.0 111.25 -178.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 54' ' ' TYR . 2.3 tp -143.92 130.41 20.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.689 0.28 . . . . 1.0 110.448 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.636 HD23 ' CG1' ' A' ' 154' ' ' VAL . 21.3 tp -104.68 143.56 32.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.547 179.18 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 7.7 p -151.64 139.54 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.644 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 42.4 m -125.35 146.88 49.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.381 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 169' ' ' HIS . . . . . 0.519 ' ND1' ' O ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -143.21 138.5 29.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.745 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 170' ' ' HIS . . . . . 0.557 ' ND1' ' OG1' ' A' ' 48' ' ' THR . 1.0 OUTLIER -172.13 170.25 5.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.489 -178.737 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.543 ' HB2' ' NH1' ' A' ' 73' ' ' ARG . . . -55.18 -174.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.601 178.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 67.9 tt0 -118.12 81.15 16.06 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.567 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -85.13 -37.14 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.895 2.396 . . . . 1.0 112.07 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -160.61 154.03 18.58 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.483 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -66.06 176.93 3.38 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.761 2.307 . . . . 1.0 112.057 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 176' ' ' TYR . . . . . 0.405 ' OH ' ' CB ' ' A' ' 150' ' ' SER . 0.1 OUTLIER -113.28 135.01 54.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.608 -179.811 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 50.5 m -89.12 139.06 30.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.568 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -65.98 -39.43 90.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.49 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 179' ' ' GLU . . . . . 0.513 ' CD ' ' H ' ' A' ' 179' ' ' GLU . 47.7 mp0 -62.91 -53.54 52.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.466 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -64.34 -33.18 75.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.384 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 26.0 tp -58.85 -42.04 88.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.372 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -56.2 -50.97 69.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.293 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 61.8 t -43.06 -46.31 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.172 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 184' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 187' ' ' LEU . 60.1 t -74.28 -38.59 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.162 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -47.33 -38.01 12.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.063 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 52.7 mt -73.86 -34.68 64.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.075 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 187' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 184' ' ' VAL . 26.3 tp -55.97 -32.56 63.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.126 178.657 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -73.49 -36.91 65.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.119 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -56.1 -39.55 72.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.123 178.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -53.95 -54.28 41.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.167 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 92.7 t -54.81 -42.35 61.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.026 -0.533 . . . . 1.0 110.162 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 2.5 m -49.77 -30.6 9.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.068 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 65.2 mt -81.46 -34.56 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.081 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -69.59 -45.53 68.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.23 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 195' ' ' ILE . . . . . 0.473 HD12 HD11 ' A' ' 31' ' ' LEU . 3.2 tp -64.6 -33.76 65.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.266 179.281 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.474 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -76.14 -56.1 4.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.339 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -58.91 -26.61 64.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.374 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -75.18 -36.98 61.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.463 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -54.47 -39.1 67.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.401 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 40.2 mt -61.63 -58.6 7.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.462 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 22.2 t -61.68 -47.5 85.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.5 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 11.3 tp . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.018 -0.992 . . . . 1.0 110.549 179.937 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 301' ' ' CYC . . . . . 0.742 ' HHD' ' SG ' ' A' ' 138' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.785 HD12 ' HB2' ' A' ' 198' ' ' ALA . 9.9 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.843 0.354 . . . . 1.0 110.57 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -46.45 -30.6 2.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.644 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -77.12 -45.72 25.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.486 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.608 ' O ' HG23 ' A' ' 38' ' ' THR . 0.4 OUTLIER -67.31 -29.26 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.528 -179.753 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.486 ' O ' ' OG1' ' A' ' 38' ' ' THR . 95.4 mt -76.72 -25.08 53.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.653 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.518 ' NH1' ' OE2' ' A' ' 40' ' ' GLU . 0.6 OUTLIER -64.34 -32.43 74.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.523 177.546 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.86 -24.52 35.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.619 179.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 34' ' ' ILE . 73.6 p -71.49 -48.05 51.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.614 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' ' 36' ' ' ARG . 5.3 p -57.05 -38.18 58.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.61 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.518 ' OE2' ' NH1' ' A' ' 36' ' ' ARG . 98.0 mt-10 -70.02 -39.02 76.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.582 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -64.86 -44.77 88.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.481 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 70.2 t -60.27 -53.21 51.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.483 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 47' ' ' GLY . 6.3 tmm_? -51.1 -44.83 61.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.587 179.181 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.16 -40.96 95.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.556 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -71.65 -52.95 15.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.525 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 48' ' ' THR . 77.2 mt -78.85 -2.03 37.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.567 179.168 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 41.01 20.67 0.04 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 178.392 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.559 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.3 m -71.84 138.57 48.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 1.0 110.562 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.53 ' O ' ' HA ' ' A' ' 69' ' ' ARG . 93.3 m-20 -49.42 -43.27 44.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.574 -177.362 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.853 HH21 ' H ' ' A' ' 77' ' ' LEU . 72.5 ttt-85 -145.51 130.97 18.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.947 0.404 . . . . 1.0 111.036 -176.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.8 p -145.09 139.27 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.851 -0.613 . . . . 1.0 109.878 177.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.656 ' CE ' HH12 ' A' ' 50' ' ' ARG . 19.3 pttp -145.9 159.62 42.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.021 0.438 . . . . 1.0 111.317 -177.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 80.0 t -98.25 137.1 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.734 -0.666 . . . . 1.0 109.855 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.72 ' HB2' HBB1 ' A' ' 301' ' ' CYC . 60.6 t80 -117.6 114.92 24.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.847 0.356 . . . . 1.0 111.197 -178.029 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -93.2 163.11 13.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.031 -0.531 . . . . 1.0 109.893 -179.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.536 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 81.3 t80 -132.27 147.4 52.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.938 0.399 . . . . 1.0 110.882 -178.426 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.577 ' N ' ' O ' ' A' ' 61' ' ' HIS . 15.5 m-20 -116.21 148.21 41.07 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.91 -0.587 . . . . 1.0 110.264 179.623 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.98 -28.74 88.69 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.756 2.304 . . . . 1.0 112.065 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -73.53 -7.19 50.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.389 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.43 23.81 13.58 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.792 -0.923 . . . . 1.0 110.792 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.577 ' O ' ' N ' ' A' ' 57' ' ' ASP . 78.5 m80 -119.6 141.11 49.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.859 0.361 . . . . 1.0 110.743 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -131.8 153.5 20.51 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.616 -0.994 . . . . 1.0 110.616 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 66.2 p -137.11 157.76 45.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.343 . . . . 1.0 110.747 -178.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.0 t -101.59 116.34 45.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.222 176.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.1 m -105.63 2.27 10.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.833 -175.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.441 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -156.71 147.44 21.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.902 0.382 . . . . 1.0 110.888 -179.262 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.571 ' OE2' ' N ' ' A' ' 68' ' ' ALA . 7.2 tp10 -165.39 123.69 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.323 179.678 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.571 ' N ' ' OE2' ' A' ' 67' ' ' GLU . . . -124.02 134.9 53.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.803 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.53 ' HA ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -119.25 141.46 48.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.507 -179.841 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.87 -81.88 1.49 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.31 -2.73 87.52 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.766 -0.933 . . . . 1.0 110.766 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 63.29 54.02 2.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.78 0.324 . . . . 1.0 110.53 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -80.06 -57.49 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.493 179.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 29.7 mt -90.14 147.42 36.99 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.45 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -64.21 166.44 16.87 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.804 2.336 . . . . 1.0 112.056 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.7 t -84.73 133.49 34.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.66 -179.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.853 ' H ' HH21 ' A' ' 50' ' ' ARG . 34.4 mt -112.11 -17.05 12.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.467 -179.303 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 77' ' ' LEU . 16.5 tp -34.32 138.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.545 -177.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.96 -0.03 69.0 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 mt -89.8 127.3 35.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 1.0 110.514 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.2 p -102.59 131.14 49.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.649 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.474 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 13.0 m-85 -106.64 141.6 23.17 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.544 -178.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -77.44 152.07 29.81 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.817 2.345 . . . . 1.0 112.131 177.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.76 -34.54 71.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.64 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.81 -26.92 8.67 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.028 -0.829 . . . . 1.0 111.028 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -55.45 -25.61 37.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.77 0.319 . . . . 1.0 110.549 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 38.0 mt -126.17 130.97 23.82 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.594 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -76.59 -111.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.778 2.319 . . . . 1.0 112.169 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -154.49 -56.93 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.541 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.511 ' OE1' ' CZ2' ' A' ' 119' ' ' TRP . 22.4 pt-20 -49.72 -38.9 35.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.55 -179.232 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.427 ' O ' ' CD2' ' A' ' 95' ' ' PHE . . . -70.41 -52.31 23.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.558 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -56.82 -26.51 58.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.531 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -67.15 -49.12 65.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.493 -177.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 98' ' ' ALA . 69.7 mt -47.07 -54.76 9.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.465 -177.048 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.566 ' CG ' ' CZ ' ' A' ' 101' ' ' ARG . 24.8 m-85 -56.43 -29.39 61.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.678 -178.567 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.534 ' C ' HD12 ' A' ' 97' ' ' LEU . 12.2 tpp180 -63.75 -27.31 69.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.711 175.034 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.556 HD12 ' N ' ' A' ' 97' ' ' LEU . 10.8 mp -106.19 -27.13 11.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.267 178.67 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -93.9 -32.57 13.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.452 -178.239 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.533 ' N ' ' O ' ' A' ' 95' ' ' PHE . 91.6 mt-30 36.13 65.34 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.386 179.215 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.508 HG13 ' N ' ' A' ' 101' ' ' ARG . 5.1 p -142.09 -42.07 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.829 178.61 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.566 ' CZ ' ' CG ' ' A' ' 95' ' ' PHE . 25.4 mmt180 52.62 90.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.28 176.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.569 ' C ' HD12 ' A' ' 103' ' ' ILE . 68.0 t -152.04 124.12 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.593 179.07 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.663 HD12 ' N ' ' A' ' 103' ' ' ILE . 1.8 mp -104.33 130.27 55.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.79 177.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.598 HG22 ' H ' ' A' ' 105' ' ' ASP . 9.6 p -84.3 169.7 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.341 -178.03 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.598 ' H ' HG22 ' A' ' 104' ' ' VAL . 5.6 m-20 -60.02 118.14 5.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.447 -178.674 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 106' ' ' VAL . 12.5 p -52.87 -12.15 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.58 179.318 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.724 ' C ' ' H ' ' A' ' 109' ' ' GLN . 4.0 pt-20 -93.63 -27.22 16.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.41 22.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.334 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.724 ' H ' ' C ' ' A' ' 107' ' ' GLU . 33.0 tp60 75.39 52.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.727 177.561 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 25.4 t -88.39 114.74 25.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.454 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -152.45 110.79 3.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.825 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 40.8 t -136.98 113.48 10.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.2 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.838 HG22 ' H ' ' A' ' 114' ' ' SER . 5.0 mm -113.7 -176.05 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.795 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.838 ' H ' HG22 ' A' ' 113' ' ' ILE . 56.1 p -77.82 159.36 29.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.692 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -163.11 152.4 12.67 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.465 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.41 -20.23 24.27 Favored 'Trans proline' 0 C--N 1.304 -1.784 0 C-N-CA 122.858 2.372 . . . . 1.0 112.193 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -56.55 145.27 28.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.614 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 54.7 p -66.8 152.71 45.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.619 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.511 ' CZ2' ' OE1' ' A' ' 90' ' ' GLU . 63.2 m95 -68.14 -38.03 81.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.538 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 73.47 55.8 5.9 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.433 HD11 HD22 ' A' ' 97' ' ' LEU . 31.3 tp -86.63 128.52 35.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.798 0.332 . . . . 1.0 110.559 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 17.4 t -79.53 162.98 25.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.553 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.503 ' O ' ' HB2' ' A' ' 124' ' ' ARG . . . -58.5 -43.47 89.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.523 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.503 ' HB2' ' O ' ' A' ' 123' ' ' ALA . 50.8 ttm-85 170.22 93.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.527 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 15.8 t -119.28 130.85 24.62 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.541 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -74.05 126.26 10.43 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.772 2.314 . . . . 1.0 112.081 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.426 ' CG ' ' H ' ' A' ' 128' ' ' GLY . 6.6 tp 56.14 -124.32 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.656 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.426 ' H ' ' CG ' ' A' ' 127' ' ' LEU . . . 52.07 20.19 6.31 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 179.11 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -109.47 154.77 42.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.915 0.388 . . . . 1.0 110.564 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -46.32 142.43 9.11 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.852 2.368 . . . . 1.0 112.137 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.659 ' N ' HD12 ' A' ' 131' ' ' LEU . 8.7 mp -69.51 -27.38 65.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.431 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -131.66 129.7 41.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.453 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.545 ' CZ ' ' CD1' ' A' ' 94' ' ' LEU . 27.4 ttt85 -112.79 131.34 22.78 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.646 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.98 142.7 35.17 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.754 2.302 . . . . 1.0 112.013 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.623 ' O ' HG23 ' A' ' 135' ' ' VAL . 10.9 m -102.53 117.79 48.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.523 -179.301 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.653 ' CG ' HBD2 ' A' ' 301' ' ' CYC . 54.8 p-10 -49.94 150.31 4.11 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.425 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -45.66 -13.04 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.804 2.336 . . . . 1.0 111.905 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.499 ' O ' HAC2 ' A' ' 301' ' ' CYC . 0.1 OUTLIER -69.99 -49.08 55.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.375 179.716 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.679 ' NE2' HD13 ' A' ' 143' ' ' LEU . 0.1 OUTLIER -83.0 -19.76 36.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.242 -178.719 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 44.5 t -52.11 -63.13 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.571 178.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.524 ' O ' ' N ' ' A' ' 145' ' ' SER . 7.3 m80 -60.65 -40.83 93.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.39 178.459 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -49.55 -58.81 4.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.445 178.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.679 HD13 ' NE2' ' A' ' 139' ' ' HIS . 1.3 tp -66.82 -51.8 51.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.471 -179.607 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 147' ' ' GLY . 3.2 tmtt? -57.43 -41.68 80.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.452 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.524 ' N ' ' O ' ' A' ' 141' ' ' HIS . 20.2 t -51.95 -25.54 8.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.51 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 29.6 mtt -92.36 -1.1 57.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.46 177.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 144' ' ' LYS . . . 74.93 26.62 66.37 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.3 t -109.82 117.75 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 1.0 110.711 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -79.82 -30.77 40.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.305 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.445 ' O ' ' CD2' ' A' ' 170' ' ' HIS . 26.2 m -146.12 121.74 10.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.135 -178.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 34.1 t -114.22 137.6 51.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.946 0.403 . . . . 1.0 111.032 178.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 37.9 tp -99.78 127.22 45.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.007 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.656 HG13 HG23 ' A' ' 167' ' ' VAL . 0.0 OUTLIER -128.07 159.09 39.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.021 0.439 . . . . 1.0 111.246 -178.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 3.4 t -149.12 126.5 5.57 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 115.731 -0.668 . . . . 1.0 109.985 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -77.05 126.99 9.03 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.966 2.444 . . . . 1.0 112.757 -173.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' LEU . . . . . 0.496 HD23 ' HB1' ' A' ' 188' ' ' ALA . 12.0 mt -104.0 93.94 5.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.239 177.59 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 23.6 ptm -121.05 138.89 53.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.782 -177.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' HIS . . . . . 0.621 ' CD2' ' CD2' ' A' ' 159' ' ' HIS . 70.3 t60 -112.86 123.52 50.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.402 177.247 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.621 ' CD2' ' CD2' ' A' ' 158' ' ' HIS . 7.8 m-70 61.01 -100.82 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.392 -178.016 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -124.61 5.47 8.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.427 -178.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.464 ' N ' ' OE1' ' A' ' 161' ' ' GLU . 38.2 mp0 -114.42 152.8 30.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.609 -176.055 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 11.7 tp -106.32 123.23 47.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.399 176.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' TRP . . . . . 0.415 ' HE1' ' HB3' ' A' ' 158' ' ' HIS . 74.9 m95 -100.34 -42.22 6.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.948 -176.386 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -150.91 -175.09 22.5 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.194 -0.762 . . . . 1.0 111.194 -176.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 54' ' ' TYR . 45.6 tp -150.13 134.53 17.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.759 0.314 . . . . 1.0 110.422 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 66.2 tp -98.38 138.12 36.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.589 178.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.656 HG23 HG13 ' A' ' 153' ' ' VAL . 10.1 p -143.42 138.6 26.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.732 -178.314 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.451 ' OG ' HG21 ' A' ' 48' ' ' THR . 0.1 OUTLIER -123.54 143.44 50.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.302 177.361 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -118.27 128.98 55.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.784 -178.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 170' ' ' HIS . . . . . 0.445 ' CD2' ' O ' ' A' ' 150' ' ' SER . 1.8 p-80 -168.12 162.35 12.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.474 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -61.0 -152.26 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.607 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -124.2 75.3 59.98 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.588 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -81.24 -59.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.849 2.366 . . . . 1.0 112.094 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -146.22 152.83 47.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.524 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.99 178.19 2.54 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.772 2.315 . . . . 1.0 112.065 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -108.97 140.02 43.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.57 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 25.1 t -91.22 141.38 28.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.523 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -64.65 -38.5 91.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.518 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -63.38 -57.58 9.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.479 -179.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -62.89 -34.54 77.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.433 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 26.3 tp -58.84 -41.23 86.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.403 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -58.57 -51.06 71.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.339 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 49.6 t -42.06 -47.94 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.174 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 97.1 t -73.96 -38.78 50.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.226 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -47.36 -39.21 14.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.117 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 17.8 tp -71.76 -34.95 69.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.028 177.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 12.7 tp -55.54 -31.98 62.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.086 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 188' ' ' ALA . . . . . 0.496 ' HB1' HD23 ' A' ' 156' ' ' LEU . . . -74.39 -35.74 63.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.083 178.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -60.05 -42.8 95.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.195 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -51.64 -53.81 34.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.191 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 72.1 t -55.28 -40.63 57.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.117 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 3.2 t -47.72 -37.16 12.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.074 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 193' ' ' ILE . . . . . 0.479 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -77.38 -34.38 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.111 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -70.9 -49.81 41.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.228 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 195' ' ' ILE . . . . . 0.482 HG23 ' N ' ' A' ' 196' ' ' ALA . 10.7 tp -66.02 -40.05 86.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.244 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.482 ' N ' HG23 ' A' ' 195' ' ' ILE . . . -56.69 -38.29 72.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.335 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -69.83 -22.44 63.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.395 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 198' ' ' ALA . . . . . 0.785 ' HB2' HD12 ' A' ' 31' ' ' LEU . . . -74.38 -35.94 63.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.451 -179.201 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -62.65 -49.47 75.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.372 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 42.1 tp -68.84 -52.99 24.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.539 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 26.0 m -52.69 -41.59 64.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.565 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 15.8 tp . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.031 -0.985 . . . . 1.0 110.609 179.815 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 301' ' ' CYC . . . . . 0.72 HBB1 ' HB2' ' A' ' 54' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.411 HD21 ' CD1' ' A' ' 195' ' ' ILE . 48.4 tp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.882 0.372 . . . . 1.0 110.572 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -53.26 -34.32 56.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.579 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -76.4 -50.84 13.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.567 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.531 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.5 mp -53.4 -47.48 58.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.493 -178.114 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 87.0 mt -66.96 -27.08 67.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.657 -177.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -34.86 61.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.62 177.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.69 -27.22 29.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.662 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.6 p -68.67 -50.57 50.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.671 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.474 HG13 ' N ' ' A' ' 40' ' ' GLU . 9.3 p -56.39 -39.92 63.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.673 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.474 ' N ' HG13 ' A' ' 39' ' ' VAL . 91.8 mt-10 -73.56 -40.47 63.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.56 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -61.44 -51.79 67.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.512 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.9 t -58.89 -49.52 82.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.468 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.547 ' O ' ' N ' ' A' ' 47' ' ' GLY . 38.7 ttp180 -47.52 -43.82 25.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.515 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.64 -37.11 77.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.549 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -76.04 -50.75 13.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.548 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.55 ' O ' ' N ' ' A' ' 48' ' ' THR . 39.0 mt -80.16 -0.43 35.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.507 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.547 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.72 22.13 0.05 OUTLIER Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 178.06 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.686 HG22 ' H ' ' A' ' 50' ' ' ARG . 1.3 m -75.26 138.06 41.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.818 0.342 . . . . 1.0 110.598 179.614 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.51 ' OD2' ' NH2' ' A' ' 73' ' ' ARG . 53.8 p30 -73.02 -15.51 61.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.596 -176.397 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.686 ' H ' HG22 ' A' ' 48' ' ' THR . 44.8 ttp180 -150.49 116.99 5.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.966 0.412 . . . . 1.0 110.985 -179.295 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 167' ' ' VAL . 9.3 p -148.58 135.84 13.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.843 -0.617 . . . . 1.0 109.885 177.005 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -144.35 162.3 36.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.114 0.483 . . . . 1.0 111.233 -178.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.416 HG22 ' CD1' ' A' ' 166' ' ' LEU . 63.2 t -101.19 136.31 33.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.703 -0.681 . . . . 1.0 109.898 178.04 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.405 ' CZ ' ' HA3' ' A' ' 62' ' ' GLY . 32.2 t80 -118.81 117.83 29.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.932 0.396 . . . . 1.0 111.202 -178.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.0 mtp85 -95.33 162.06 13.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.968 -0.56 . . . . 1.0 109.912 179.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -129.17 143.71 50.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.895 0.378 . . . . 1.0 110.906 -178.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -114.75 133.53 22.56 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.283 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -44.88 -24.59 1.28 Allowed 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.71 2.273 . . . . 1.0 112.053 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -78.32 -6.43 55.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.472 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.5 19.48 35.02 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.761 -0.936 . . . . 1.0 110.761 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -113.32 137.81 50.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.865 0.364 . . . . 1.0 110.726 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.405 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -128.87 149.92 18.6 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.668 -0.973 . . . . 1.0 110.668 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.477 HG22 HG22 ' A' ' 81' ' ' THR . 1.7 p -134.81 155.64 50.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 1.0 110.733 -178.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.461 HG12 HD12 ' A' ' 78' ' ' LEU . 10.9 t -97.55 111.83 28.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.223 175.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 65' ' ' VAL . 9.5 p -102.39 -2.65 9.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.808 -175.342 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -157.34 146.73 20.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.909 0.385 . . . . 1.0 110.897 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -168.63 126.83 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.268 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -132.53 151.62 51.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.795 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.527 ' O ' ' NH1' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -136.7 143.94 43.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.418 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.45 3.38 79.05 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.833 -0.907 . . . . 1.0 110.833 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -159.63 -114.88 0.38 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.781 -0.928 . . . . 1.0 110.781 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 179.98 44.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.831 0.348 . . . . 1.0 110.594 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.713 ' NH2' ' H ' ' A' ' 171' ' ' ALA . 40.8 ttp180 -78.27 -57.46 3.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.523 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 40.3 mt -92.46 146.67 32.9 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.545 177.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -66.53 168.39 16.59 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.74 2.294 . . . . 1.0 112.059 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 54.9 p -90.17 140.92 29.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.72 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.484 ' O ' ' C ' ' A' ' 78' ' ' LEU . 43.2 mt -116.38 -19.87 9.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.466 -179.065 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.484 ' C ' ' O ' ' A' ' 77' ' ' LEU . 23.2 tp -34.03 140.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.491 -177.467 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.5 -0.65 71.27 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.81 -0.916 . . . . 1.0 110.81 178.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.3 mt -97.64 134.0 41.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.793 0.33 . . . . 1.0 110.514 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.477 HG22 HG22 ' A' ' 63' ' ' THR . 1.1 p -97.71 124.87 42.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.656 177.575 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -100.82 146.05 31.44 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.499 -178.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.4 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 76.5 Cg_endo -79.31 145.16 18.75 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.89 2.393 . . . . 1.0 112.18 178.509 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.87 -33.94 75.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.591 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.87 -22.8 6.36 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.021 -0.832 . . . . 1.0 111.021 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 87' ' ' ILE . 38.6 p-10 -58.62 -33.03 69.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 1.0 110.587 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.527 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 83.4 mt -119.27 102.42 48.44 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.442 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.496 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 81.4 Cg_exo -43.5 -108.69 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.82 2.347 . . . . 1.0 112.157 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.496 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 85.0 tt0 -166.35 -42.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.575 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -53.56 -36.8 62.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.531 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.478 ' CB ' HAD2 ' A' ' 301' ' ' CYC . . . -67.24 -38.95 86.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.622 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.505 HH21 HD22 ' A' ' 162' ' ' LEU . 83.8 mtp180 -70.38 -26.58 63.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.553 -178.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -56.71 -54.57 44.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.518 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.637 HD12 ' N ' ' A' ' 94' ' ' LEU . 9.1 mp -54.77 -38.03 66.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.522 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.574 ' CZ ' HBA2 ' A' ' 301' ' ' CYC . 6.9 m-85 -59.97 -31.64 70.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.698 178.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -88.63 -19.92 25.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.706 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.413 HD21 ' O ' ' A' ' 121' ' ' LEU . 10.4 mt -102.79 -47.21 4.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.202 -177.185 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.575 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -99.73 -17.86 17.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.393 -175.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.477 ' C ' ' O ' ' A' ' 98' ' ' ALA . 89.3 mt-30 35.43 64.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.369 178.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.55 ' CG2' HH12 ' A' ' 133' ' ' ARG . 16.1 t -111.08 -48.16 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.845 177.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.562 HH21 HG13 ' A' ' 154' ' ' VAL . 0.0 OUTLIER 54.12 64.75 1.72 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.289 175.062 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.593 ' C ' HD12 ' A' ' 103' ' ' ILE . 8.0 p -147.81 124.56 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.637 179.522 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.593 HD12 ' C ' ' A' ' 102' ' ' VAL . 1.7 mp -108.04 131.38 58.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.713 177.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 10.6 m -82.21 168.69 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.369 -178.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.435 ' C ' ' H ' ' A' ' 107' ' ' GLU . 10.6 m-20 -55.2 119.47 5.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.462 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.6 p -51.46 -11.93 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.571 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.733 ' C ' ' H ' ' A' ' 109' ' ' GLN . 7.1 pt-20 -98.02 -26.32 14.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.328 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 105' ' ' ASP . . . -60.86 23.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.343 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.733 ' H ' ' C ' ' A' ' 107' ' ' GLU . 40.7 tp60 74.65 50.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.004 -0.543 . . . . 1.0 110.677 177.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.33 114.83 24.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.457 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -150.24 108.73 3.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.809 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.581 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 18.1 m -112.5 157.16 21.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.17 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 16.4 tt -158.2 161.87 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.849 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.0 t -75.6 162.78 27.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.72 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -161.25 154.62 18.07 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.475 -179.564 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.453 ' O ' ' O ' ' A' ' 117' ' ' GLU . 36.1 Cg_endo -64.96 143.32 78.72 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.798 2.332 . . . . 1.0 112.233 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.453 ' O ' ' O ' ' A' ' 116' ' ' PRO . 95.9 mt-10 56.64 116.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.59 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.4 m -117.3 146.15 43.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.565 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 66.9 t-105 -107.98 133.09 52.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.557 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 159.28 93.05 0.09 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.685 HD12 ' N ' ' A' ' 121' ' ' LEU . 8.1 mp -92.59 144.09 25.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 1.0 110.589 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.418 ' C ' ' H ' ' A' ' 124' ' ' ARG . 25.0 p -79.8 4.52 16.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.577 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.26 2.59 1.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.546 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.418 ' H ' ' C ' ' A' ' 122' ' ' SER . 53.7 ttt180 72.35 46.8 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.566 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 2.9 t -66.51 132.99 94.26 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.551 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 127' ' ' LEU . 82.3 Cg_exo -42.53 169.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.846 2.364 . . . . 1.0 112.103 179.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.654 HD12 ' H ' ' A' ' 127' ' ' LEU . 10.2 mp -35.37 -89.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.57 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 51.6 28.94 23.53 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.862 -0.895 . . . . 1.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -130.26 157.35 77.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.888 0.375 . . . . 1.0 110.64 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.462 ' O ' ' NH2' ' A' ' 133' ' ' ARG . 9.0 Cg_endo -48.5 148.67 7.76 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.89 2.393 . . . . 1.0 112.144 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.641 ' N ' HD12 ' A' ' 131' ' ' LEU . 9.1 mp -70.28 -9.55 56.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.441 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -135.28 162.9 31.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.495 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.55 HH12 ' CG2' ' A' ' 100' ' ' VAL . 3.9 mmt85 -121.19 83.78 39.44 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.641 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.447 ' C ' ' OG ' ' A' ' 112' ' ' SER . 51.0 Cg_exo -51.7 144.49 33.94 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.764 2.31 . . . . 1.0 111.928 -179.227 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.525 HG11 ' CE1' ' A' ' 139' ' ' HIS . 24.5 m -105.1 160.91 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.564 -178.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.581 ' HA ' ' H ' ' A' ' 112' ' ' SER . 0.0 OUTLIER -94.39 161.24 29.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.433 -179.72 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -53.03 -23.96 23.45 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.874 2.382 . . . . 1.0 111.912 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.68 ' CA ' HBC1 ' A' ' 301' ' ' CYC . 0.1 OUTLIER -68.77 -40.69 79.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.423 178.526 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.531 ' N ' ' SG ' ' A' ' 138' ' ' CYS . 0.0 OUTLIER -81.45 -26.32 35.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.268 179.499 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 38.3 t -50.54 -54.04 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.477 178.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -63.49 -40.08 96.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.438 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -45.26 -54.39 7.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.464 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 143' ' ' LEU . 21.8 mt -70.95 -50.86 29.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.34 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -55.9 -42.23 75.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.437 -178.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 21.9 t -54.19 -26.4 27.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.569 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 52.6 mtt -94.25 -2.54 52.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.531 177.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 70.05 24.25 76.63 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.931 -0.868 . . . . 1.0 110.931 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 148' ' ' VAL . 6.4 p -110.88 123.57 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.341 . . . . 1.0 110.684 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -94.83 -19.05 20.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.278 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.432 ' O ' HG22 ' A' ' 148' ' ' VAL . 37.2 t -110.34 138.69 46.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.061 -178.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.464 ' OG ' HG21 ' A' ' 103' ' ' ILE . 5.2 p -145.43 120.75 10.25 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.698 -0.401 . . . . 1.0 111.081 179.522 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 16.8 tp -120.42 136.58 54.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 1.0 109.999 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.434 HG23 ' C ' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -120.11 149.06 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.012 0.434 . . . . 1.0 111.22 -178.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.562 HG13 HH21 ' A' ' 101' ' ' ARG . 0.9 OUTLIER -151.24 77.32 7.5 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.719 -0.673 . . . . 1.0 109.948 -179.062 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 155' ' ' PRO . . . . . 0.403 ' HD2' ' NE ' ' A' ' 101' ' ' ARG . 28.9 Cg_endo -61.15 156.92 42.26 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.987 2.458 . . . . 1.0 112.691 -175.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 35.2 mt -118.69 94.21 4.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.256 178.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 18.1 ptm -108.75 135.7 49.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.781 -177.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' HIS . . . . . 0.507 ' O ' ' HB3' ' A' ' 159' ' ' HIS . 55.3 t60 -120.45 122.9 41.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.44 177.136 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.507 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 62.6 t60 78.47 -117.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.365 -177.34 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -121.51 7.85 10.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.45 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.538 ' C ' HD12 ' A' ' 162' ' ' LEU . 12.0 mt-10 -118.02 162.16 18.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.558 -177.311 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.549 HD12 ' N ' ' A' ' 162' ' ' LEU . 10.8 mp -105.46 126.3 51.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.417 177.659 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 163' ' ' TRP . . . . . 0.443 ' NE1' ' HB3' ' A' ' 158' ' ' HIS . 97.7 m95 -102.87 -37.29 7.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.881 -176.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -148.94 177.95 26.83 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.196 -0.761 . . . . 1.0 111.196 -177.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' LEU . . . . . 0.466 HD21 HMA3 ' A' ' 301' ' ' CYC . 33.5 tp -144.72 131.37 19.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.76 0.314 . . . . 1.0 110.418 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.416 ' CD1' HG22 ' A' ' 53' ' ' VAL . 7.7 tp -102.77 148.8 25.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.593 179.327 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.492 ' O ' HG23 ' A' ' 51' ' ' VAL . 4.6 p -152.57 137.47 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.76 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.17 140.21 52.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.353 178.122 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 169' ' ' HIS . . . . . 0.483 ' O ' ' OD1' ' A' ' 49' ' ' ASP . 98.5 m-70 -135.12 134.12 39.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.746 -179.003 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 170' ' ' HIS . . . . . 0.509 ' O ' HG23 ' A' ' 148' ' ' VAL . 2.4 p80 -170.1 168.13 8.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.519 -179.163 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.713 ' H ' ' NH2' ' A' ' 73' ' ' ARG . . . -56.65 -170.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.578 179.381 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -118.69 80.36 17.26 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.601 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -84.73 -59.16 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.893 2.395 . . . . 1.0 112.086 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 2.9 ptp85 -142.51 152.65 60.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.573 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.12 176.25 4.05 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.854 2.369 . . . . 1.0 112.029 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 176' ' ' TYR . . . . . 0.414 ' CD1' ' O ' ' A' ' 176' ' ' TYR . 20.3 p90 -115.59 137.48 52.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.625 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 26.2 t -90.23 143.92 26.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.558 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 178' ' ' GLN . . . . . 0.489 ' CD ' ' H ' ' A' ' 178' ' ' GLN . 27.5 mp0 -63.93 -32.77 74.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.509 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.11 -45.74 91.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.496 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -72.77 -30.92 64.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.417 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 29.6 tp -56.89 -37.08 70.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.432 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -68.99 -51.21 41.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.33 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 57.2 t -43.08 -49.34 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.168 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 184' ' ' VAL . . . . . 0.416 HG11 HD21 ' A' ' 46' ' ' LEU . 27.2 m -75.4 -34.64 30.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.172 -179.31 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -48.86 -39.88 27.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.11 177.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 53.1 mt -74.04 -33.0 63.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.038 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 30.4 tp -56.8 -32.2 65.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.101 179.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -74.91 -39.15 61.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.083 178.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -55.29 -39.71 70.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.158 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -54.26 -53.81 48.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.118 178.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 44.0 t -55.31 -41.79 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.141 178.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 3.9 t -48.56 -32.14 7.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.01 179.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 64.9 mt -80.44 -34.28 14.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.159 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -70.21 -46.52 64.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.266 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 195' ' ' ILE . . . . . 0.506 HG23 ' N ' ' A' ' 196' ' ' ALA . 8.3 tp -64.21 -42.1 94.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.255 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.506 ' N ' HG23 ' A' ' 195' ' ' ILE . . . -67.43 -53.68 26.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.346 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -60.25 -24.54 64.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.373 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -74.39 -37.57 63.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.462 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -55.0 -38.8 68.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.481 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 40.1 tp -62.45 -57.41 11.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.478 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 29.4 m -52.85 -41.93 64.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.534 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 44.6 mt . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 117.951 -1.023 . . . . 1.0 110.564 179.56 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 301' ' ' CYC . . . . . 0.68 HBC1 ' CA ' ' A' ' 138' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.0 mt . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.774 0.321 . . . . 1.0 110.51 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.451 ' OD1' HG11 ' A' ' 65' ' ' VAL . 65.9 m-20 -72.67 -33.56 66.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.562 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -76.85 -55.0 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.512 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.532 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.5 mp -51.02 -54.6 9.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.638 -178.025 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.0 mt -58.44 -31.85 68.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.638 -177.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.531 ' HE ' ' C ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -50.3 -40.23 47.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.607 179.521 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.27 -26.16 42.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.659 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.2 p -71.49 -43.26 66.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.592 178.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.548 HG21 ' CB ' ' A' ' 66' ' ' ALA . 81.1 t -58.63 -40.68 79.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.688 179.016 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -72.13 -41.69 66.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.602 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -60.62 -45.55 93.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.429 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.477 ' CG1' HD12 ' A' ' 46' ' ' LEU . 55.7 t -63.91 -47.46 90.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.555 179.608 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.521 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.8 OUTLIER -48.05 -44.75 31.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.548 179.667 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.07 -38.15 85.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.498 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -76.7 -52.3 9.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.583 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.477 HD12 ' CG1' ' A' ' 42' ' ' VAL . 95.9 mt -80.23 -3.76 50.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.626 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 41.78 67.2 0.86 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.976 -0.85 . . . . 1.0 110.976 178.42 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.5 136.26 53.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.817 0.342 . . . . 1.0 110.543 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.542 ' OD2' ' NE ' ' A' ' 73' ' ' ARG . 24.0 p30 -70.74 -14.13 62.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.593 -177.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.541 ' NH1' ' OE2' ' A' ' 67' ' ' GLU . 57.6 ttm-85 -155.81 116.73 3.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.98 0.419 . . . . 1.0 111.008 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.0 p -151.66 138.28 12.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.818 -0.628 . . . . 1.0 109.799 176.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.533 ' NZ ' HAB2 ' A' ' 301' ' ' CYC . 12.6 pttp -146.98 162.6 38.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.103 0.478 . . . . 1.0 111.237 -177.366 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.7 p -101.46 137.16 30.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.694 -0.684 . . . . 1.0 109.899 177.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.537 ' HB2' HBB1 ' A' ' 301' ' ' CYC . 14.8 t80 -120.3 118.81 31.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.911 0.386 . . . . 1.0 111.201 -177.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -94.74 164.21 13.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.001 -0.545 . . . . 1.0 109.836 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.544 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 77.4 t80 -130.37 146.89 52.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.94 0.4 . . . . 1.0 110.903 -178.412 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.544 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 23.4 m-20 -116.43 147.68 40.15 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.249 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.99 -24.9 75.5 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.805 2.337 . . . . 1.0 112.083 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.3 mp0 -77.05 -6.87 54.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.34 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.87 23.82 19.4 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.786 -0.925 . . . . 1.0 110.786 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.429 ' O ' ' N ' ' A' ' 57' ' ' ASP . 93.0 m-70 -119.19 140.92 49.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 1.0 110.738 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.695 ' O ' HG23 ' A' ' 81' ' ' THR . . . -133.36 153.97 21.02 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.708 -0.957 . . . . 1.0 110.708 179.261 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 21.8 p -138.24 159.14 42.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.892 0.377 . . . . 1.0 110.712 -177.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.496 HG12 HD12 ' A' ' 78' ' ' LEU . 5.5 t -100.22 113.2 35.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.198 175.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.451 HG11 ' OD1' ' A' ' 32' ' ' ASP . 29.2 m -101.53 1.91 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.844 -175.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.548 ' CB ' HG21 ' A' ' 39' ' ' VAL . . . -162.34 151.62 15.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.949 0.404 . . . . 1.0 110.864 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.541 ' OE2' ' NH1' ' A' ' 50' ' ' ARG . 71.7 tt0 -166.35 126.23 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.202 -179.345 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -125.95 145.75 50.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.82 179.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.471 ' H ' ' HD2' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -143.45 151.23 40.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.48 -179.266 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -100.01 -55.76 0.98 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.876 -0.889 . . . . 1.0 110.876 178.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.85 -131.55 4.51 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.726 -0.949 . . . . 1.0 110.726 178.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -172.74 59.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.807 0.337 . . . . 1.0 110.547 178.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.615 HH12 ' HB2' ' A' ' 171' ' ' ALA . 17.2 ptp180 -91.8 -16.64 26.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.451 177.418 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.52 ' HB2' ' HE ' ' A' ' 50' ' ' ARG . 12.2 mt -132.23 151.81 79.02 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.466 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.531 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 49.8 Cg_endo -71.98 172.36 14.81 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.79 2.327 . . . . 1.0 112.094 179.162 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.8 t -84.23 115.76 22.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.67 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.5 ' O ' ' C ' ' A' ' 78' ' ' LEU . 36.9 mt -90.21 -25.42 20.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.494 -178.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.5 ' C ' ' O ' ' A' ' 77' ' ' LEU . 6.3 tp -32.79 139.01 0.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.589 -178.42 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.28 0.02 68.14 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.844 -0.902 . . . . 1.0 110.844 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 mt -92.0 129.59 37.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.79 0.329 . . . . 1.0 110.561 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.695 HG23 ' O ' ' A' ' 62' ' ' GLY . 23.6 m -94.68 120.47 34.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.663 177.248 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.429 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 15.9 m-85 -98.01 144.02 27.28 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.498 -178.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.405 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 71.8 Cg_endo -78.91 140.37 16.07 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.797 2.331 . . . . 1.0 112.187 178.449 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.37 -34.33 66.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.718 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -51.44 -23.09 8.54 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.003 -0.839 . . . . 1.0 111.003 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.543 ' OD1' ' N ' ' A' ' 87' ' ' ILE . 40.5 p-10 -59.53 -29.58 67.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.803 0.335 . . . . 1.0 110.599 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.561 ' O ' ' O ' ' A' ' 88' ' ' PRO . 95.7 mt -118.92 99.31 51.13 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.467 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.561 ' O ' ' O ' ' A' ' 87' ' ' ILE . 88.0 Cg_exo -45.59 -116.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.872 2.381 . . . . 1.0 112.146 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.431 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 42.5 tp10 -156.97 -58.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.518 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -45.12 -37.45 4.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.592 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.524 ' HB1' HH22 ' A' ' 133' ' ' ARG . . . -69.5 -51.23 37.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.561 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -55.64 -25.61 40.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.545 -178.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -63.22 -49.67 73.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.528 -178.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' A' ' 98' ' ' ALA . 57.3 mt -47.8 -50.93 24.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.459 -178.383 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -56.86 -27.26 60.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.689 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -87.64 -21.62 25.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.621 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.6 mp -104.06 -49.66 3.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.232 -177.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.567 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -96.09 -15.6 22.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.413 -175.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.503 ' C ' ' O ' ' A' ' 98' ' ' ALA . 89.1 mt-30 33.22 62.14 0.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.348 178.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.63 HG23 ' N ' ' A' ' 101' ' ' ARG . 22.7 m -110.55 -48.89 6.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.87 177.08 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.63 ' N ' HG23 ' A' ' 100' ' ' VAL . 0.4 OUTLIER 55.14 67.06 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.252 174.079 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.627 ' C ' HD12 ' A' ' 103' ' ' ILE . 12.7 p -148.04 126.85 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.614 179.186 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.715 HD12 ' N ' ' A' ' 103' ' ' ILE . 2.6 mp -112.95 136.06 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.667 178.46 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.686 HG12 ' N ' ' A' ' 105' ' ' ASP . 46.1 t -84.62 170.52 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.303 -178.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.686 ' N ' HG12 ' A' ' 104' ' ' VAL . 82.2 m-20 -49.99 120.81 4.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.42 -179.185 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 15.1 m -56.52 -6.96 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.579 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.436 ' H ' ' C ' ' A' ' 105' ' ' ASP . 1.7 pp20? -77.92 -33.17 51.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.339 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.27 -14.58 27.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.337 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 48.91 61.0 3.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.738 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.2 m -86.63 139.93 30.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.437 175.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 71.7 mtm-85 -121.79 131.93 54.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.839 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.446 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 5.7 t -139.47 116.16 10.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.186 177.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.515 ' N ' HD13 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -120.89 -166.49 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.752 -179.279 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 69.3 p -81.91 172.22 13.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.706 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -143.32 147.84 41.85 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.491 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -38.68 -61.95 0.35 Allowed 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.866 2.377 . . . . 1.0 112.135 179.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.414 ' C ' ' N ' ' A' ' 119' ' ' TRP . 2.8 pt-20 -162.5 -94.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.654 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.6 m 50.72 14.38 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.635 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.414 ' N ' ' C ' ' A' ' 117' ' ' GLU . 67.8 t-105 -55.84 -39.43 71.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.566 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 57.33 -138.03 48.55 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.951 -0.86 . . . . 1.0 110.951 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 42.6 mt -89.34 140.5 29.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 1.0 110.547 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 79.5 p -144.11 42.88 1.43 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.456 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.557 ' O ' ' HB2' ' A' ' 124' ' ' ARG . . . -55.18 -59.61 4.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.512 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.557 ' HB2' ' O ' ' A' ' 123' ' ' ALA . 20.7 tpt180 168.4 86.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.512 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.681 ' O ' HG13 ' A' ' 125' ' ' VAL . 7.1 p -115.08 95.49 42.25 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.537 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -48.69 128.53 18.65 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.763 2.308 . . . . 1.0 112.105 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 23.5 mt 62.4 -126.03 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.551 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 69.22 33.44 73.57 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -139.11 161.65 56.59 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.37 . . . . 1.0 110.603 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -45.84 156.45 0.44 Allowed 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.861 2.374 . . . . 1.0 112.156 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.9 tp -69.5 -9.31 53.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.425 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -133.34 168.44 18.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.455 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.524 HH22 ' HB1' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -130.54 115.99 17.25 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.658 -179.36 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -80.27 144.66 16.52 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.781 2.32 . . . . 1.0 111.965 178.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.445 HG21 ' ND1' ' A' ' 139' ' ' HIS . 23.6 m -127.59 135.11 64.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.544 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.584 ' OD2' HBD2 ' A' ' 301' ' ' CYC . 0.3 OUTLIER -46.87 160.12 0.34 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.478 179.481 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.93 -12.59 2.1 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.861 2.374 . . . . 1.0 111.884 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.427 ' SG ' ' CHD' ' A' ' 301' ' ' CYC . 0.0 OUTLIER -60.06 -47.61 85.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.395 179.526 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.744 ' CE1' HD22 ' A' ' 143' ' ' LEU . 1.3 t-80 -82.56 -27.73 31.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.292 -177.471 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 88.5 t -54.7 -63.12 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.493 -179.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -64.58 -45.03 88.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.429 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -43.98 -44.96 7.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.501 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.744 HD22 ' CE1' ' A' ' 139' ' ' HIS . 1.8 mp -72.05 -48.52 43.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.383 178.328 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -54.33 -42.51 70.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.446 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.5 m -53.21 -25.24 13.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.547 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 37.7 mtt -93.03 -3.06 55.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.409 178.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 69.74 23.72 76.66 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 148' ' ' VAL . 5.4 p -109.99 123.59 66.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.78 0.324 . . . . 1.0 110.659 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -94.53 -25.85 16.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.243 -179.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 32.3 t -103.43 138.02 40.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.099 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.687 ' HB3' HD21 ' A' ' 143' ' ' LEU . 0.0 OUTLIER -143.29 118.93 10.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.941 0.4 . . . . 1.0 111.04 179.622 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 59.1 tp -116.78 133.82 55.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.02 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.437 HG23 ' HB3' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -118.96 152.05 21.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.117 0.484 . . . . 1.0 111.213 -178.596 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 188' ' ' ALA . 66.9 t -152.41 75.18 7.24 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 115.724 -0.671 . . . . 1.0 109.924 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -53.63 151.06 26.09 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.897 2.398 . . . . 1.0 112.669 -176.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 42.1 mt -117.63 96.35 5.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.833 -0.621 . . . . 1.0 110.21 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 19.7 ptm -118.14 137.89 52.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.775 -178.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' HIS . . . . . 0.627 ' ND1' ' CD2' ' A' ' 159' ' ' HIS . 6.9 t-80 -117.59 135.08 54.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.376 177.568 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.627 ' CD2' ' ND1' ' A' ' 158' ' ' HIS . 84.8 m-70 65.76 -115.7 0.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.311 -178.238 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -119.57 4.55 11.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.448 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -117.11 165.39 13.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.518 . . . . 1.0 110.616 -177.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 19.5 tp -107.4 122.49 46.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.474 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -99.89 -37.19 9.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.882 -177.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -150.59 -178.39 25.41 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.196 -0.762 . . . . 1.0 111.196 -178.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.2 tp -147.14 144.73 29.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.772 0.32 . . . . 1.0 110.412 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 166' ' ' LEU . 13.9 tp -117.7 141.93 47.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.586 178.491 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 20.6 t -148.57 133.96 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.702 -177.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 16.9 m -118.25 145.67 44.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.383 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 169' ' ' HIS . . . . . 0.651 ' ND1' ' N ' ' A' ' 169' ' ' HIS . 0.0 OUTLIER -140.8 133.64 29.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.776 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 170' ' ' HIS . . . . . 0.724 ' CD2' ' N ' ' A' ' 171' ' ' ALA . 21.1 t60 -169.93 163.73 9.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.506 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.724 ' N ' ' CD2' ' A' ' 170' ' ' HIS . . . -52.01 -171.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.596 178.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -121.78 79.29 40.14 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.651 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -83.83 -48.14 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.848 2.365 . . . . 1.0 112.107 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 76.2 mtm180 -146.37 151.84 44.75 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.494 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -68.26 176.25 5.79 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.807 2.338 . . . . 1.0 112.091 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 176' ' ' TYR . . . . . 0.482 ' OH ' ' CG2' ' A' ' 102' ' ' VAL . 21.3 p90 -117.34 135.84 53.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.611 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 54.3 p -86.01 143.54 28.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.535 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 178' ' ' GLN . . . . . 0.453 ' CD ' ' H ' ' A' ' 178' ' ' GLN . 27.4 mp0 -67.06 -36.9 83.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.497 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -58.89 -47.35 85.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.494 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.93 -32.96 70.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.459 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 25.3 tp -56.03 -45.44 79.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.406 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 185' ' ' GLN . 81.9 mt-30 -60.11 -53.03 62.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.285 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 81.0 t -42.1 -42.74 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.132 178.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 184' ' ' VAL . . . . . 0.426 HG21 HD21 ' A' ' 46' ' ' LEU . 85.2 t -74.5 -37.6 44.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.176 179.223 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 182' ' ' GLN . 61.2 tt0 -48.47 -39.18 22.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.048 178.183 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 27.8 tp -72.06 -34.02 68.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.049 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 22.4 tp -56.38 -30.53 62.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.128 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 188' ' ' ALA . . . . . 0.473 ' HB2' ' CG1' ' A' ' 154' ' ' VAL . . . -71.97 -38.04 69.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.095 178.331 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -56.48 -40.95 75.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.163 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -53.46 -55.59 24.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.138 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 84.3 t -56.84 -41.71 76.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.089 178.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 3.8 t -49.44 -34.5 16.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.179 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.5 mp -78.97 -33.98 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.15 178.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -70.85 -46.91 61.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.245 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 2.7 tp -65.28 -33.82 66.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.28 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.501 ' HB2' ' CD2' ' A' ' 158' ' ' HIS . . . -74.45 -54.99 6.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.3 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -62.14 -26.06 68.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.386 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -73.43 -39.58 64.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.413 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -53.28 -36.77 61.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.366 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 40.5 tp -64.58 -56.68 12.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.523 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 19.3 m -63.63 -50.11 70.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.531 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 31.4 mt . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.025 -0.988 . . . . 1.0 110.499 -179.903 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 301' ' ' CYC . . . . . 0.584 HBD2 ' OD2' ' A' ' 136' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 tp . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.785 0.326 . . . . 1.0 110.518 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -54.24 -48.75 70.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.536 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -61.08 -46.08 92.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.582 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.593 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.4 mp -64.87 -32.07 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.626 -178.374 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.456 ' O ' HG22 ' A' ' 38' ' ' THR . 81.3 mt -78.61 -20.88 49.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.647 -178.533 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.571 ' O ' HG12 ' A' ' 39' ' ' VAL . 72.7 mtp180 -76.35 -33.3 58.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.615 178.178 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.91 -31.16 25.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.568 -178.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.536 ' CG2' ' N ' ' A' ' 39' ' ' VAL . 3.5 t -70.83 -44.34 66.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.596 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.571 HG12 ' O ' ' A' ' 36' ' ' ARG . 5.1 p -55.21 -36.67 40.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.698 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -74.96 -34.77 62.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.559 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -66.24 -47.99 72.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.556 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.8 t -61.67 -54.39 35.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.544 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.553 ' O ' ' N ' ' A' ' 47' ' ' GLY . 4.9 tmm_? -47.77 -40.96 22.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.552 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.33 -37.67 81.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.581 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -76.53 -49.22 17.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.577 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.589 ' O ' ' N ' ' A' ' 48' ' ' THR . 10.9 mt -79.0 -3.39 44.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.542 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.553 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.41 20.32 0.03 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.589 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.5 m -71.89 139.41 48.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.872 0.368 . . . . 1.0 110.534 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.522 ' OD2' ' NH1' ' A' ' 73' ' ' ARG . 80.2 m-20 -48.21 -47.89 35.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.517 . . . . 1.0 110.605 -177.634 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.403 ' H ' HG22 ' A' ' 48' ' ' THR . 19.7 mtp-105 -138.22 132.32 31.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.001 0.429 . . . . 1.0 110.974 -176.098 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 t -142.96 131.72 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.86 -0.609 . . . . 1.0 109.753 176.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.1 pttt -142.66 157.3 44.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.099 0.476 . . . . 1.0 111.207 -178.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.778 HG12 ' HB3' ' A' ' 66' ' ' ALA . 9.9 p -102.97 139.74 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.66 -0.7 . . . . 1.0 109.873 177.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.477 ' CG ' HBB1 ' A' ' 301' ' ' CYC . 22.7 t80 -122.88 120.12 32.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 1.0 111.182 -177.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.461 ' HG3' ' H ' ' A' ' 56' ' ' PHE . 4.7 tpt180 -95.85 162.74 13.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.999 -0.546 . . . . 1.0 109.898 179.257 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.535 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 85.5 t80 -129.81 145.02 51.58 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.722 -0.391 . . . . 1.0 110.903 -178.383 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.535 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 24.8 m-20 -114.05 148.42 39.97 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.281 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.61 -23.87 76.92 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.685 2.257 . . . . 1.0 112.05 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -78.27 -4.93 50.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.36 -179.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 84' ' ' ALA . . . 93.33 21.52 29.44 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.766 -0.933 . . . . 1.0 110.766 179.425 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.404 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 90.7 m-70 -116.81 140.29 49.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.803 0.335 . . . . 1.0 110.715 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -132.8 154.88 21.33 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.572 -1.011 . . . . 1.0 110.572 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 76.4 p -139.1 158.26 44.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.745 0.307 . . . . 1.0 110.763 -178.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.1 t -101.57 117.04 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.181 176.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.6 m -106.88 1.89 10.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.817 -176.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.778 ' HB3' HG12 ' A' ' 53' ' ' VAL . . . -158.09 148.66 20.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.935 0.398 . . . . 1.0 110.895 -179.297 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -166.68 127.19 1.61 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.261 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -122.64 120.38 33.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 1.0 110.763 178.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.508 ' HA ' ' O ' ' A' ' 49' ' ' ASP . 42.9 ptt85 -112.04 143.09 43.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.495 -178.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -94.7 -78.94 1.43 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.867 -0.893 . . . . 1.0 110.867 179.037 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.44 -117.58 0.53 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.776 -0.93 . . . . 1.0 110.776 178.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -179.3 50.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.831 0.348 . . . . 1.0 110.593 178.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.522 ' NH1' ' OD2' ' A' ' 49' ' ' ASP . 3.1 ptp85 -85.75 -16.46 38.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.514 177.008 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.9 mt -138.4 149.29 62.52 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.512 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.81 173.16 8.51 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.758 2.305 . . . . 1.0 112.139 -178.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.3 t -94.59 135.69 35.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.753 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.1 mt -106.82 0.85 24.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.497 -179.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 68.9 tp -55.6 137.09 49.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.545 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.51 0.53 79.24 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.876 -0.89 . . . . 1.0 110.876 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.2 tp -90.5 130.57 36.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.768 0.318 . . . . 1.0 110.551 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 81' ' ' THR . 10.1 t -100.83 129.35 46.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.635 177.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -96.88 143.35 25.96 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.565 -178.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -80.96 145.51 15.7 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.757 2.305 . . . . 1.0 112.182 178.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 60' ' ' GLY . . . -55.7 -43.81 76.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.616 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.6 -24.31 7.55 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -52.72 -21.2 3.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 1.0 110.593 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.602 ' CD1' HH21 ' A' ' 92' ' ' ARG . 26.9 pt -135.39 144.6 50.24 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.472 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.52 -99.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.838 2.359 . . . . 1.0 112.162 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -166.1 -45.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.603 179.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -51.19 -38.28 51.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.568 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.93 -49.2 54.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.616 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.602 HH21 ' CD1' ' A' ' 87' ' ' ILE . 32.0 ttm180 -58.2 -31.56 67.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.58 -178.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -54.25 -44.86 72.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.467 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.654 ' O ' ' N ' ' A' ' 98' ' ' ALA . 8.8 mp -52.26 -37.9 56.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.503 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.775 ' CE1' HBA2 ' A' ' 301' ' ' CYC . 13.0 m-85 -58.27 -21.1 47.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.713 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.573 ' C ' HD12 ' A' ' 97' ' ' LEU . 53.5 mtp85 -95.03 -33.99 12.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.726 -177.605 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.651 HD12 ' N ' ' A' ' 97' ' ' LEU . 9.0 mp -105.98 -37.71 6.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.197 -176.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.654 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -84.36 -35.05 23.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.448 -176.474 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.489 ' C ' ' O ' ' A' ' 98' ' ' ALA . 25.4 mt-30 33.68 58.0 0.55 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.444 ' H ' ' HE ' ' A' ' 101' ' ' ARG . 5.3 t -145.36 -50.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.809 178.22 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.814 ' H ' ' NE ' ' A' ' 101' ' ' ARG . 4.1 mmp_? 50.44 98.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.29 174.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.517 ' C ' HD12 ' A' ' 103' ' ' ILE . 69.9 t -153.42 124.29 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.597 177.384 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.613 HD12 ' N ' ' A' ' 103' ' ' ILE . 1.7 mp -101.2 132.21 47.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.729 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.609 HG12 ' H ' ' A' ' 105' ' ' ASP . 4.8 t -85.15 170.82 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.298 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.609 ' H ' HG12 ' A' ' 104' ' ' VAL . 0.6 OUTLIER -60.67 116.95 4.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.466 -178.755 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 149' ' ' ALA . 0.8 OUTLIER -52.05 -12.23 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.571 179.712 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.704 ' C ' ' H ' ' A' ' 109' ' ' GLN . 3.9 pt-20 -92.34 -28.2 17.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.263 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.5 ' O ' ' HB2' ' A' ' 109' ' ' GLN . . . -62.17 21.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.35 178.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.704 ' H ' ' C ' ' A' ' 107' ' ' GLU . 79.8 mt-30 74.28 48.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.683 178.025 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.6 t -87.49 119.87 28.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.374 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -155.29 110.37 3.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.458 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 39.3 t -102.71 146.1 28.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.993 -0.548 . . . . 1.0 110.22 179.476 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 9.0 mt -146.75 151.49 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.757 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.1 p -78.35 169.15 18.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.63 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.473 ' N ' ' CD ' ' A' ' 115' ' ' GLN . 0.4 OUTLIER -146.82 153.4 46.22 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.519 -179.828 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -70.22 -9.71 26.57 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.92 2.413 . . . . 1.0 112.192 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.6 tp10 -79.09 140.81 37.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.647 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.2 t -71.69 155.42 40.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.621 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.493 ' CD1' ' N ' ' A' ' 119' ' ' TRP . 5.6 m0 -70.95 137.35 49.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.565 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -105.95 87.97 0.54 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 36.5 mt -91.47 141.82 28.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 1.0 110.526 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.8 t -93.34 154.39 18.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.512 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.559 ' O ' ' HB2' ' A' ' 124' ' ' ARG . . . -56.49 -39.38 73.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.543 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.559 ' HB2' ' O ' ' A' ' 123' ' ' ALA . 55.6 ttt180 164.67 91.67 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.549 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 95.2 t -120.6 106.72 39.51 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.542 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -45.74 125.68 8.21 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.774 2.316 . . . . 1.0 112.07 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.633 HD12 ' N ' ' A' ' 127' ' ' LEU . 9.5 mp 49.18 -166.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.611 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 96.64 -14.13 64.52 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.871 -0.892 . . . . 1.0 110.871 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.43 ' N ' ' OE1' ' A' ' 129' ' ' GLU . 8.0 mp0 -72.7 159.36 85.54 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.996 0.427 . . . . 1.0 110.571 179.416 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -48.25 136.08 24.98 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.894 2.396 . . . . 1.0 112.127 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 49.4 mt -69.45 -29.8 67.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.442 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -130.24 166.19 20.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.42 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.592 HH21 ' NH1' ' A' ' 101' ' ' ARG . 8.4 ttm180 -133.62 94.18 19.79 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.698 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -48.78 147.06 10.45 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.81 2.34 . . . . 1.0 111.94 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.682 HG11 ' CE1' ' A' ' 139' ' ' HIS . 21.2 m -98.89 152.03 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.486 -178.59 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.631 ' OD2' HMD2 ' A' ' 301' ' ' CYC . 0.3 OUTLIER -94.82 154.82 39.77 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.482 179.482 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -43.87 -32.13 4.15 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.839 2.359 . . . . 1.0 111.886 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.517 ' SG ' ' CHD' ' A' ' 301' ' ' CYC . 0.1 OUTLIER -73.71 -30.9 63.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.348 178.506 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.682 ' CE1' HG11 ' A' ' 135' ' ' VAL . 5.6 t-80 -86.48 -34.59 20.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.274 177.401 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 79.1 t -48.26 -45.84 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.505 178.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.516 ' O ' ' N ' ' A' ' 145' ' ' SER . 84.4 t60 -68.17 -40.86 82.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.44 178.082 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -47.79 -59.42 3.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.486 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.492 HD13 ' CE1' ' A' ' 139' ' ' HIS . 0.5 OUTLIER -68.28 -49.96 56.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.441 -179.29 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -56.01 -40.81 73.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.491 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 141' ' ' HIS . 33.8 t -52.72 -29.51 27.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.509 178.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 46.6 mtt -87.77 -1.03 57.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.409 178.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 72.77 22.42 79.06 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.453 HG13 ' H ' ' A' ' 170' ' ' HIS . 23.8 t -105.49 113.64 42.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.777 0.322 . . . . 1.0 110.729 179.226 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.434 ' O ' HG13 ' A' ' 106' ' ' VAL . . . -79.24 -26.86 42.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.275 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.469 ' O ' ' CE1' ' A' ' 170' ' ' HIS . 29.5 t -148.4 116.66 6.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.161 -179.379 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 12.1 t -108.25 133.31 52.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 1.0 111.053 178.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 36.3 tp -97.63 126.43 42.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.01 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -122.19 154.91 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.044 0.45 . . . . 1.0 111.158 -179.019 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.413 ' CG2' ' C ' ' A' ' 153' ' ' VAL . 0.9 OUTLIER -151.0 111.47 3.09 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.646 -0.706 . . . . 1.0 109.927 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -72.57 131.26 17.14 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.944 2.429 . . . . 1.0 112.688 -172.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 16.9 mt -103.5 94.63 5.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.16 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.464 ' SD ' ' OE1' ' A' ' 99' ' ' GLN . 16.2 ptm -116.06 136.31 53.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.767 -177.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 158' ' ' HIS . . . . . 0.498 ' CE1' ' CB ' ' A' ' 196' ' ' ALA . 31.1 t60 -115.85 122.25 44.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.424 176.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.452 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 16.0 t60 71.25 -110.8 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.353 -177.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -121.96 3.23 9.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.423 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.481 ' CG ' ' N ' ' A' ' 162' ' ' LEU . 47.9 tt0 -115.03 159.17 21.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.551 -177.096 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.481 ' N ' ' CG ' ' A' ' 161' ' ' GLU . 11.3 mt -104.79 127.57 52.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.492 178.553 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -106.67 -41.17 5.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.872 -177.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -146.15 -179.92 22.69 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.209 -0.756 . . . . 1.0 111.209 -177.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 35.3 tp -149.63 135.86 19.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.693 0.282 . . . . 1.0 110.45 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 33.1 tp -100.47 142.89 31.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.578 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.541 HG21 ' OB ' ' A' ' 301' ' ' CYC . 10.8 p -148.03 138.44 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.715 -178.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.33 145.35 49.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.409 178.583 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -120.96 129.47 53.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.759 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 170' ' ' HIS . . . . . 0.469 ' CE1' ' O ' ' A' ' 150' ' ' SER . 20.3 p-80 -166.99 161.09 14.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.502 179.284 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -65.06 -154.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.609 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 172' ' ' GLU . . . . . 0.43 ' OE2' ' OE1' ' A' ' 107' ' ' GLU . 4.2 pt-20 -120.9 80.52 33.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.581 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.94 -59.2 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.845 2.363 . . . . 1.0 112.068 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -154.93 151.74 23.86 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.459 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -49.42 168.57 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.789 2.326 . . . . 1.0 112.064 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -111.12 122.21 47.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.562 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 26.2 t -70.3 138.12 51.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.589 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -66.24 -35.32 80.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.481 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.32 -55.25 22.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.476 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -64.61 -31.47 72.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.358 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 26.5 tp -59.02 -41.43 87.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.447 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -59.14 -48.69 80.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.356 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 55.7 t -43.66 -50.09 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.149 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 184' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 187' ' ' LEU . 96.2 t -72.98 -39.33 57.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.188 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -46.47 -38.95 9.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.068 178.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 27.2 tp -73.16 -34.23 65.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.027 178.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 187' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 184' ' ' VAL . 25.6 tp -56.1 -33.03 64.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.036 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -71.56 -35.17 70.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.106 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -59.14 -40.51 85.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.172 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -54.17 -56.33 19.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.208 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 92.5 t -55.58 -44.87 78.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.155 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 7.8 t -49.17 -33.98 13.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.153 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 69.1 mt -81.28 -36.31 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.157 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -64.72 -45.98 84.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.264 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 2.4 pp -68.1 -26.7 34.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.295 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.498 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.12 -56.28 4.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.342 178.524 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -59.99 -25.34 65.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.356 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -74.15 -38.06 63.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.465 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -51.55 -37.23 48.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.387 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 41.4 mt -57.89 -57.55 12.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.476 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 84.1 p -50.51 -40.75 52.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.513 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 26.7 mt . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.988 -1.006 . . . . 1.0 110.618 179.68 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 301' ' ' CYC . . . . . 0.775 HBA2 ' CE1' ' A' ' 95' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.796 0.331 . . . . 1.0 110.563 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.409 ' OD1' HG11 ' A' ' 65' ' ' VAL . 53.2 m-20 -55.71 -37.96 69.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.538 -179.449 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -74.13 -54.1 8.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.543 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.7 mm -53.05 -48.26 53.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.559 -178.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.3 mt -61.63 -28.0 69.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.616 -177.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.534 ' NH1' ' OE2' ' A' ' 40' ' ' GLU . 0.4 OUTLIER -55.31 -40.63 71.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.59 179.382 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.63 -29.51 51.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.639 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.4 p -66.66 -46.01 77.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.633 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.536 HG21 ' CB ' ' A' ' 66' ' ' ALA . 86.7 t -56.37 -38.89 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.698 178.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.534 ' OE2' ' NH1' ' A' ' 36' ' ' ARG . 98.1 mt-10 -75.38 -38.22 60.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.538 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.458 ' OE1' HD11 ' A' ' 187' ' ' LEU . 14.8 tm-20 -59.71 -48.24 82.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.508 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.468 ' CG1' HD12 ' A' ' 46' ' ' LEU . 78.9 t -63.2 -43.34 98.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.502 179.306 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 47' ' ' GLY . 54.4 ttp85 -47.85 -45.79 30.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.503 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.54 -40.76 95.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.567 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -72.61 -54.3 9.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.577 -178.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.592 ' O ' ' N ' ' A' ' 48' ' ' THR . 92.0 mt -78.75 0.85 25.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.58 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.34 20.44 0.03 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 178.042 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.592 ' N ' ' O ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -74.84 139.63 43.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 1.0 110.52 179.582 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 70' ' ' GLY . 89.7 m-20 -66.11 -29.96 70.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.678 -176.25 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.69 ' NE ' HH12 ' A' ' 69' ' ' ARG . 4.1 ttt180 -137.9 126.56 23.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.984 -175.401 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.499 ' CG1' HG21 ' A' ' 48' ' ' THR . 0.0 OUTLIER -148.89 132.15 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.858 -0.61 . . . . 1.0 109.784 175.89 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -144.14 153.12 41.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.929 0.395 . . . . 1.0 111.333 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.4 HG12 ' HB3' ' A' ' 66' ' ' ALA . 5.8 p -99.02 136.5 29.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.789 -0.641 . . . . 1.0 109.819 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.409 ' CZ ' ' HA3' ' A' ' 62' ' ' GLY . 19.5 t80 -118.48 118.88 32.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.892 0.377 . . . . 1.0 111.186 -178.705 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -94.45 162.35 13.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.0 -0.545 . . . . 1.0 109.941 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -130.41 144.85 51.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.936 0.398 . . . . 1.0 110.879 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.487 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 2.2 m-20 -115.86 136.25 22.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.248 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -46.05 -28.17 5.03 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.733 2.289 . . . . 1.0 112.103 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -74.9 -8.3 56.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.388 -178.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.25 21.13 23.43 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.817 -0.913 . . . . 1.0 110.817 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 57' ' ' ASP . 77.3 m80 -116.36 139.94 49.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.892 0.377 . . . . 1.0 110.697 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.409 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -130.92 152.05 19.81 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.589 -1.004 . . . . 1.0 110.589 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 81.8 p -136.24 156.56 48.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.766 0.317 . . . . 1.0 110.853 -178.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.6 t -100.72 115.22 41.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.282 176.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.409 HG11 ' OD1' ' A' ' 32' ' ' ASP . 29.9 m -104.38 2.46 10.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.787 -175.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.536 ' CB ' HG21 ' A' ' 39' ' ' VAL . . . -160.76 149.82 16.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.945 0.402 . . . . 1.0 110.884 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.41 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 88.9 tt0 -168.28 128.27 1.26 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.261 -179.555 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -126.16 128.82 47.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.848 178.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.774 ' NH2' ' H ' ' A' ' 74' ' ' LEU . 40.8 mtp85 -110.5 141.8 43.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.475 -179.211 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -91.66 -107.42 1.54 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -58.96 -11.07 9.96 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.741 -0.944 . . . . 1.0 110.741 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 69.35 63.33 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.353 . . . . 1.0 110.575 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.594 ' NH2' HG22 ' A' ' 148' ' ' VAL . 5.3 ptm180 -87.37 -53.91 4.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.55 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.774 ' H ' ' NH2' ' A' ' 69' ' ' ARG . 6.8 mt -96.81 169.6 8.54 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.479 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.547 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 2.6 Cg_exo -77.47 175.48 11.24 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.766 2.31 . . . . 1.0 112.1 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 55.8 p -90.51 133.31 35.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.68 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.5 mt -104.99 -9.4 17.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.433 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.41 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 16.2 tp -49.17 137.38 13.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.548 -178.075 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.77 -1.2 71.07 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.904 -0.878 . . . . 1.0 110.904 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 94.9 mt -99.09 133.57 43.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.772 0.32 . . . . 1.0 110.576 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.23 122.61 36.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.627 178.208 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -98.03 140.77 22.12 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.533 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.73 144.85 25.19 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 122.808 2.339 . . . . 1.0 112.185 178.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.05 -32.48 74.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.667 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.63 -21.6 3.44 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.964 -0.854 . . . . 1.0 110.964 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.02 -32.89 71.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.839 0.352 . . . . 1.0 110.602 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.501 ' O ' ' O ' ' A' ' 88' ' ' PRO . 1.8 pt -120.64 94.6 48.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.514 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.56 ' HG2' HBD1 ' A' ' 301' ' ' CYC . 92.5 Cg_exo -40.49 -106.26 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.783 2.322 . . . . 1.0 112.237 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.445 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 87.6 tt0 -162.7 -51.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.561 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -47.8 -37.55 13.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.549 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.523 ' HB2' HBD2 ' A' ' 301' ' ' CYC . . . -67.68 -37.66 82.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.635 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.404 ' HE ' ' HA ' ' A' ' 89' ' ' GLU . 65.6 mtm180 -69.61 -24.8 63.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.534 -179.406 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 97' ' ' LEU . 90.4 mtt-85 -57.53 -54.85 42.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.547 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.594 ' O ' ' N ' ' A' ' 98' ' ' ALA . 17.2 mt -52.49 -37.53 57.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.491 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' A' ' 101' ' ' ARG . 6.2 m-85 -65.58 -34.3 77.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.717 178.575 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 66.8 mtm180 -89.82 -20.95 22.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.62 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 93' ' ' ARG . 9.4 mp -102.99 -50.33 3.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.249 -177.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.594 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -97.44 -12.98 22.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.411 -176.286 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.507 ' C ' ' O ' ' A' ' 98' ' ' ALA . 87.0 mt-30 32.75 61.02 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.319 178.374 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.618 HG23 ' N ' ' A' ' 101' ' ' ARG . 34.7 m -104.93 -48.95 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.836 176.047 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.635 HH21 HG23 ' A' ' 154' ' ' VAL . 0.0 OUTLIER 54.23 58.32 5.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.242 172.459 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.573 ' C ' HD12 ' A' ' 103' ' ' ILE . 27.0 t -148.85 125.27 2.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.552 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.717 HD12 ' N ' ' A' ' 103' ' ' ILE . 2.2 mp -107.34 132.97 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.712 177.668 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.458 HG22 ' H ' ' A' ' 104' ' ' VAL . 2.5 m -82.75 169.04 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.342 -178.206 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.422 ' C ' ' H ' ' A' ' 107' ' ' GLU . 9.0 m-20 -53.97 120.61 6.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.468 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 106' ' ' VAL . 10.1 p -51.93 -11.78 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.551 179.069 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.691 ' C ' ' H ' ' A' ' 109' ' ' GLN . 6.3 pt-20 -95.8 -26.34 15.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.366 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.466 ' O ' ' HB2' ' A' ' 109' ' ' GLN . . . -62.84 23.45 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.691 ' H ' ' C ' ' A' ' 107' ' ' GLU . 77.8 mt-30 73.02 49.61 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.73 177.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 38.7 m -86.48 117.38 25.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.386 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -155.86 120.14 4.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.787 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.603 ' OG ' ' N ' ' A' ' 136' ' ' ASP . 1.0 OUTLIER -116.3 155.48 28.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.192 178.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.459 HG13 ' N ' ' A' ' 114' ' ' SER . 10.9 tp -154.27 157.71 4.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.754 -179.421 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.459 ' N ' HG13 ' A' ' 113' ' ' ILE . 54.4 p -75.41 163.52 27.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.697 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -172.78 76.52 0.43 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.469 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -79.11 73.67 5.91 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.891 2.394 . . . . 1.0 112.208 -179.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -160.9 -26.05 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.598 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 81.0 p -148.91 168.93 21.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.619 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.471 ' CD1' ' O ' ' A' ' 119' ' ' TRP . 76.4 t-105 54.18 58.32 5.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.522 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.505 ' O ' ' O ' ' A' ' 121' ' ' LEU . . . -78.27 27.9 2.04 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.609 HD12 ' N ' ' A' ' 121' ' ' LEU . 10.0 mp 57.18 128.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.331 . . . . 1.0 110.588 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 35.9 t -73.55 157.69 36.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.469 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.615 ' O ' ' HB2' ' A' ' 124' ' ' ARG . . . -59.83 -23.95 63.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.515 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.615 ' HB2' ' O ' ' A' ' 123' ' ' ALA . 53.5 ttp85 159.93 85.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.573 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 125' ' ' VAL . 8.2 p -97.73 132.45 24.99 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.561 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.73 126.6 12.18 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.845 2.363 . . . . 1.0 112.06 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.41 ' C ' ' N ' ' A' ' 129' ' ' GLU . 20.4 mt 56.09 -131.32 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.575 -178.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 51.41 14.45 1.48 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.903 -0.879 . . . . 1.0 110.903 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 127' ' ' LEU . 33.2 mt-10 -102.54 150.08 37.31 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 1.0 110.613 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.418 ' CG ' ' NH1' ' A' ' 133' ' ' ARG . 42.4 Cg_endo -68.09 161.81 42.76 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.872 2.381 . . . . 1.0 112.169 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.669 ' N ' HD12 ' A' ' 131' ' ' LEU . 8.7 mp -80.01 -14.98 58.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.454 -179.41 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -133.11 168.6 18.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.453 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.502 HH21 ' CB ' ' A' ' 98' ' ' ALA . 23.8 mmt180 -136.08 123.76 14.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.649 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -79.39 141.25 15.82 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.749 2.299 . . . . 1.0 112.013 177.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 2.2 t -123.54 132.25 71.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.549 -179.024 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.603 ' N ' ' OG ' ' A' ' 112' ' ' SER . 3.2 m-20 -42.95 158.74 0.22 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.442 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -50.38 -10.88 0.28 Allowed 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.868 2.378 . . . . 1.0 111.834 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.44 ' SG ' ' CHD' ' A' ' 301' ' ' CYC . 1.1 m -58.18 -47.9 81.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.361 178.115 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -32.46 67.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.267 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 76.6 t -53.79 -63.06 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.468 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 145' ' ' SER . 84.4 t60 -69.26 -48.84 60.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.381 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' TYR . . . . . 0.533 ' CZ ' ' CE ' ' A' ' 146' ' ' MET . 76.9 t80 -48.16 -53.6 16.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.502 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.7 tp -67.95 -50.0 58.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.41 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 147' ' ' GLY . 24.5 tptp -56.63 -41.38 77.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.424 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.485 ' OG ' ' O ' ' A' ' 142' ' ' TYR . 74.8 p -52.27 -26.4 11.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.502 179.018 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.533 ' CE ' ' CZ ' ' A' ' 142' ' ' TYR . 5.8 mtt -90.84 -0.65 57.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.422 177.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 144' ' ' LYS . . . 70.97 22.92 78.48 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.594 HG22 ' NH2' ' A' ' 73' ' ' ARG . 14.6 t -110.7 121.0 62.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.796 0.331 . . . . 1.0 110.67 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -93.66 -22.97 18.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.291 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.478 ' O ' HG12 ' A' ' 148' ' ' VAL . 47.4 t -106.86 137.95 43.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.126 -179.087 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 2.4 p -141.86 105.0 4.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.938 0.399 . . . . 1.0 111.032 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 28.0 tp -103.88 119.91 39.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.933 -0.576 . . . . 1.0 109.996 177.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.458 ' CG2' ' N ' ' A' ' 154' ' ' VAL . 2.2 p -115.97 155.85 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.054 0.454 . . . . 1.0 111.247 -177.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.635 HG23 HH21 ' A' ' 101' ' ' ARG . 7.0 p -160.6 100.64 1.34 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.765 -0.652 . . . . 1.0 109.934 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -68.88 156.59 64.9 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.838 2.359 . . . . 1.0 112.736 -175.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 26.3 mt -118.15 95.72 5.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.233 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 21.2 ptm -115.13 138.82 50.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.744 -178.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' HIS . . . . . 0.423 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 71.3 t60 -113.33 124.38 52.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.389 177.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.411 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 80.2 t60 65.82 -106.79 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.412 -178.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 160' ' ' GLN . . . . . 0.614 ' O ' ' NE2' ' A' ' 160' ' ' GLN . 35.6 tp60 -120.95 -1.23 9.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.409 -178.516 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -113.14 156.66 22.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.611 -176.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 6.1 tt -107.47 125.52 51.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.448 178.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -100.32 -39.87 7.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.833 -177.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -149.05 -178.21 23.88 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.228 -0.749 . . . . 1.0 111.228 -177.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 5.1 tp -144.71 132.7 21.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.699 0.285 . . . . 1.0 110.475 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.585 ' HB3' HG13 ' A' ' 154' ' ' VAL . 18.7 tp -105.34 150.55 25.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.587 178.611 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 9.4 p -153.04 147.02 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.699 -178.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.507 ' O ' ' ND1' ' A' ' 169' ' ' HIS . 24.5 t -127.43 141.56 51.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.321 178.304 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 169' ' ' HIS . . . . . 0.507 ' ND1' ' O ' ' A' ' 168' ' ' SER . 11.7 m-70 -139.93 135.13 32.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.739 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 170' ' ' HIS . . . . . 0.575 ' HD1' ' CB ' ' A' ' 48' ' ' THR . 2.1 p-80 -170.87 167.16 7.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.457 -179.06 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.544 ' N ' ' NH1' ' A' ' 73' ' ' ARG . . . -53.91 -169.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.581 179.132 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -117.62 81.78 15.12 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.577 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -84.37 -56.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.836 2.358 . . . . 1.0 112.122 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -146.8 153.13 45.98 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.498 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -65.28 176.67 3.08 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.771 2.314 . . . . 1.0 112.069 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 176' ' ' TYR . . . . . 0.487 ' CD1' ' O ' ' A' ' 176' ' ' TYR . 30.1 p90 -117.66 134.7 54.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.663 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 57.8 m -85.74 144.39 27.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.534 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -66.72 -35.83 81.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.491 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -60.95 -48.98 79.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.509 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -70.11 -31.23 68.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.475 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 29.4 tp -56.45 -35.74 68.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.43 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -70.58 -50.42 37.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.364 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 62.0 t -43.8 -49.21 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.124 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 184' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 187' ' ' LEU . 5.8 p -73.78 -37.6 49.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.209 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -45.85 -37.63 6.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.134 178.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 61.7 mt -70.11 -36.21 74.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.088 177.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 187' ' ' LEU . . . . . 0.727 HD23 ' O ' ' A' ' 187' ' ' LEU . 1.4 tt -55.4 -33.37 63.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.038 -0.528 . . . . 1.0 109.999 178.413 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -74.41 -37.57 63.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.074 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -56.16 -38.97 71.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.148 178.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 190' ' ' GLN . . . . . 0.501 ' O ' HG22 ' A' ' 193' ' ' ILE . 94.5 mt-30 -54.71 -48.51 72.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.133 179.147 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 59.9 t -60.58 -45.35 97.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.144 178.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 16.5 m -49.95 -46.67 52.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.101 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 193' ' ' ILE . . . . . 0.501 HG22 ' O ' ' A' ' 190' ' ' GLN . 13.3 tt -77.79 -27.19 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.147 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -67.76 -45.54 74.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.233 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 17.7 pt -71.78 -20.92 20.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.276 179.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.423 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -76.12 -56.37 4.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.282 178.143 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -61.49 -24.22 66.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.366 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -73.32 -38.18 65.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.471 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -53.22 -37.78 62.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.424 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 200' ' ' LEU . . . . . 0.556 ' C ' HD23 ' A' ' 200' ' ' LEU . 3.1 tt -59.53 -60.46 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.477 -179.626 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 18.8 m -57.1 -44.63 83.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.488 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.613 ' N ' HD12 ' A' ' 202' ' ' LEU . 10.0 mp . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 118.035 -0.983 . . . . 1.0 110.557 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 301' ' ' CYC . . . . . 0.56 HBD1 ' HG2' ' A' ' 88' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.2 tp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.793 0.33 . . . . 1.0 110.624 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.421 ' OD1' HG11 ' A' ' 65' ' ' VAL . 73.3 m-20 -56.48 -36.45 69.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.611 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -73.25 -53.34 11.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.584 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.543 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.6 mp -50.91 -54.58 9.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.603 -178.545 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 73.4 mt -57.9 -31.66 66.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.615 -177.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -51.04 -39.93 57.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.573 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.25 -27.64 38.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.602 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.4 p -67.39 -43.76 80.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.688 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.568 HG21 ' CB ' ' A' ' 66' ' ' ALA . 57.9 t -58.94 -39.64 78.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.654 178.428 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.422 ' OE2' ' HB2' ' A' ' 68' ' ' ALA . 73.5 mm-40 -73.69 -45.45 52.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.582 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -58.15 -49.31 77.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.532 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.0 t -60.61 -45.45 97.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.428 179.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' A' ' 47' ' ' GLY . 41.2 ttp180 -48.32 -44.06 33.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.515 179.231 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.02 -41.01 95.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.541 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -71.85 -52.53 16.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.578 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.573 ' O ' ' N ' ' A' ' 48' ' ' THR . 66.0 mt -79.77 1.84 25.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.519 178.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.15 21.39 0.03 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.992 -0.843 . . . . 1.0 110.992 178.266 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.926 ' HG1' ' CE1' ' A' ' 170' ' ' HIS . 1.4 m -72.57 136.76 45.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.815 0.341 . . . . 1.0 110.615 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.535 ' O ' ' N ' ' A' ' 70' ' ' GLY . 4.3 p30 -69.26 -26.67 64.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.579 -177.337 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.568 ' NH2' ' OE2' ' A' ' 67' ' ' GLU . 26.1 ttt-85 -143.01 120.35 11.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.965 0.412 . . . . 1.0 111.003 -177.315 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.4 p -150.1 137.84 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.837 -0.62 . . . . 1.0 109.807 177.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.495 ' NZ ' HAB2 ' A' ' 301' ' ' CYC . 33.8 pttt -145.78 164.98 30.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.003 0.43 . . . . 1.0 111.235 -179.213 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.426 HG12 ' HB3' ' A' ' 66' ' ' ALA . 4.9 p -110.26 138.37 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.774 -0.648 . . . . 1.0 109.871 178.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.407 ' CZ ' ' HA3' ' A' ' 62' ' ' GLY . 12.8 t80 -120.8 119.68 33.4 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.802 -0.359 . . . . 1.0 111.218 -178.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -94.36 163.1 13.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.009 -0.541 . . . . 1.0 109.875 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.531 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 70.8 t80 -130.03 145.38 51.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.04 0.448 . . . . 1.0 110.817 -178.299 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.531 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 8.1 m-20 -114.51 147.59 38.41 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.309 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.92 -24.2 71.61 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.683 2.256 . . . . 1.0 112.037 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -77.94 -1.26 31.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.42 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.27 22.08 36.14 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.811 -0.916 . . . . 1.0 110.811 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.518 ' O ' ' N ' ' A' ' 57' ' ' ASP . 76.1 m80 -119.54 143.57 47.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.811 0.339 . . . . 1.0 110.739 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.407 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -134.91 156.32 22.45 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.612 -0.995 . . . . 1.0 110.612 178.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.419 HG23 HG22 ' A' ' 81' ' ' THR . 4.3 m -137.71 159.08 42.97 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.854 -0.339 . . . . 1.0 110.758 -178.031 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.7 t -98.44 111.29 27.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.135 175.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.421 HG11 ' OD1' ' A' ' 32' ' ' ASP . 28.4 m -99.43 1.96 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.825 -175.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.568 ' CB ' HG21 ' A' ' 39' ' ' VAL . . . -164.17 150.1 10.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.903 0.383 . . . . 1.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.568 ' OE2' ' NH2' ' A' ' 50' ' ' ARG . 42.1 tt0 -167.66 127.44 1.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.323 -179.31 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.422 ' HB2' ' OE2' ' A' ' 40' ' ' GLU . . . -123.38 136.28 54.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.839 179.198 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 49' ' ' ASP . 83.5 mtm180 -120.26 142.63 48.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.509 -179.7 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -94.77 -108.6 2.17 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.896 -0.882 . . . . 1.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -55.72 -5.55 0.91 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.841 -0.904 . . . . 1.0 110.841 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.482 ' H ' ' C ' ' A' ' 70' ' ' GLY . 68.2 tt0 64.94 58.04 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.75 0.31 . . . . 1.0 110.582 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.5 ' CZ ' ' OD2' ' A' ' 49' ' ' ASP . 16.5 ptp180 -86.02 -48.8 8.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.513 178.434 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.425 ' N ' ' CG ' ' A' ' 73' ' ' ARG . 11.9 mt -97.67 152.04 37.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.484 178.445 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -67.88 171.87 11.61 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.729 2.286 . . . . 1.0 112.111 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.4 p -88.2 128.1 35.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.669 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.9 mt -104.82 -11.52 16.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.475 -179.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.0 tp -41.05 136.52 1.49 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.519 -178.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.09 -1.79 78.04 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.847 -0.901 . . . . 1.0 110.847 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.408 HD23 ' CZ ' ' A' ' 82' ' ' PHE . 28.2 tp -93.88 127.75 39.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.762 0.315 . . . . 1.0 110.561 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.419 HG22 HG23 ' A' ' 63' ' ' THR . 24.6 p -91.23 120.78 32.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.594 179.316 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.408 ' CZ ' HD23 ' A' ' 80' ' ' LEU . 36.3 m-85 -94.37 139.09 22.3 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.526 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.26 136.95 18.49 Favored 'Trans proline' 0 C--N 1.304 -1.81 0 C-N-CA 122.921 2.414 . . . . 1.0 112.204 178.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.93 -34.34 65.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.613 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.76 -22.35 4.18 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.027 -0.829 . . . . 1.0 111.027 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -60.29 -32.54 71.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.819 0.342 . . . . 1.0 110.628 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.582 ' O ' ' O ' ' A' ' 88' ' ' PRO . 23.4 mm -108.9 103.8 52.98 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.536 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.582 ' O ' ' O ' ' A' ' 87' ' ' ILE . 89.3 Cg_exo -46.42 -121.91 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.78 2.32 . . . . 1.0 112.198 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.403 ' HG3' HH21 ' A' ' 92' ' ' ARG . 85.6 tt0 -158.96 -38.43 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.592 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -64.85 -38.02 89.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.583 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.592 ' HB2' HBD2 ' A' ' 301' ' ' CYC . . . -63.96 -34.46 78.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.526 -179.277 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.403 HH21 ' HG3' ' A' ' 89' ' ' GLU . 73.7 mtm180 -69.85 -23.42 63.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.556 -178.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 21.1 mtp-105 -55.59 -57.07 13.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.472 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.634 ' O ' ' N ' ' A' ' 98' ' ' ALA . 58.8 mt -56.48 -33.59 66.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.474 -179.506 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.669 ' CZ ' ' NH1' ' A' ' 101' ' ' ARG . 3.2 m-85 -63.56 -29.93 71.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.721 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.546 ' C ' HD12 ' A' ' 97' ' ' LEU . 94.6 mtm-85 -88.65 -23.23 23.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.72 -178.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.546 HD12 ' C ' ' A' ' 96' ' ' ARG . 9.9 mp -107.22 -43.27 4.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.22 -177.078 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.634 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -89.12 -31.89 17.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.45 -175.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 98' ' ' ALA . 94.2 mt-30 37.43 64.82 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.328 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.542 ' H ' ' NH2' ' A' ' 101' ' ' ARG . 2.0 m -120.97 -43.52 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.783 176.471 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.9 ' H ' ' CZ ' ' A' ' 101' ' ' ARG . 0.2 OUTLIER 57.48 66.69 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.309 173.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.582 ' C ' HD12 ' A' ' 103' ' ' ILE . 8.0 p -146.74 124.71 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.591 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.582 HD12 ' C ' ' A' ' 102' ' ' VAL . 1.7 mp -108.96 134.37 51.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.743 177.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.687 HG22 ' N ' ' A' ' 105' ' ' ASP . 12.6 p -80.41 169.59 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.313 -178.574 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.687 ' N ' HG22 ' A' ' 104' ' ' VAL . 3.5 m-20 -48.16 119.29 2.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.397 -178.438 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.89 -11.14 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.523 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.553 ' C ' ' H ' ' A' ' 109' ' ' GLN . 4.3 pt-20 -84.82 -29.5 25.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.349 179.637 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.462 ' O ' ' CG ' ' A' ' 109' ' ' GLN . . . -57.22 -0.73 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.387 178.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.553 ' H ' ' C ' ' A' ' 107' ' ' GLU . 15.6 pt20 39.98 50.52 2.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.68 179.061 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 135' ' ' VAL . 53.8 p -89.95 135.31 33.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.424 174.126 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 77.0 mtm180 -120.54 138.78 53.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.849 -175.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.8 m -142.69 118.8 10.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.17 176.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 21.4 pt -120.0 -167.54 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.752 -179.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.1 p -75.0 173.6 10.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.66 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -128.75 79.23 74.8 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.5 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -77.01 -1.63 11.82 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.857 2.371 . . . . 1.0 112.156 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.27 -30.6 70.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.578 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 30.6 m -157.06 92.35 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.593 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 71.6 t-105 -86.56 138.6 31.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.626 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 121' ' ' LEU . . . 83.51 -179.63 52.44 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.915 -0.874 . . . . 1.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.454 ' O ' ' O ' ' A' ' 120' ' ' GLY . 30.1 tp 58.51 145.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 1.0 110.542 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.4 p 43.18 32.66 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.512 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.9 -50.96 68.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.502 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -102.0 86.67 2.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.568 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.8 m -111.18 112.76 54.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.554 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.431 ' O ' ' O ' ' A' ' 127' ' ' LEU . 83.2 Cg_exo -45.59 142.41 7.07 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.771 2.314 . . . . 1.0 112.146 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' A' ' 126' ' ' PRO . 27.3 mt 39.23 -160.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.566 -179.627 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 78.58 2.97 86.22 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.525 ' CD ' ' H ' ' A' ' 129' ' ' GLU . 0.1 OUTLIER -86.76 156.14 55.74 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.932 0.396 . . . . 1.0 110.598 179.792 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.64 143.66 75.61 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.943 2.429 . . . . 1.0 112.159 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.462 ' O ' ' NE2' ' A' ' 132' ' ' GLN . 43.3 mt -71.37 -15.82 62.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.398 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLN . . . . . 0.462 ' NE2' ' O ' ' A' ' 131' ' ' LEU . 94.7 mm-40 -134.64 160.02 39.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.45 -179.133 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.458 ' NH2' ' O1D' ' A' ' 301' ' ' CYC . 0.0 OUTLIER -122.7 84.21 48.96 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.623 179.334 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -49.39 149.66 9.13 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 122.78 2.32 . . . . 1.0 111.978 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.997 HG23 HG12 ' A' ' 140' ' ' VAL . 15.8 m -100.91 153.68 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.532 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.92 ' O ' HG13 ' A' ' 140' ' ' VAL . 0.0 OUTLIER -94.81 158.24 35.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.47 -178.353 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.408 ' O ' HG22 ' A' ' 140' ' ' VAL . 50.1 Cg_exo -47.39 -26.97 6.5 Favored 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.788 2.325 . . . . 1.0 111.928 -178.433 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.699 ' CA ' HBC1 ' A' ' 301' ' ' CYC . 0.1 OUTLIER -76.97 -37.84 54.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.386 178.352 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.533 ' ND1' ' CG1' ' A' ' 135' ' ' VAL . 52.0 t-80 -84.34 -43.01 15.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.232 -177.475 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.997 HG12 HG23 ' A' ' 135' ' ' VAL . 3.1 m -47.34 -44.37 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.539 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.56 ' N ' HG23 ' A' ' 140' ' ' VAL . 83.5 t60 -64.79 -37.89 89.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.473 177.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -48.05 -54.38 13.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.457 178.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.439 ' HA ' HD23 ' A' ' 143' ' ' LEU . 86.4 mt -66.83 -51.15 59.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.355 179.527 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -57.25 -41.15 79.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.428 -179.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.7 t -54.36 -28.15 41.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.5 178.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 43.7 mtt -91.84 0.89 57.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.522 177.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 69.84 23.82 76.7 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.915 -0.874 . . . . 1.0 110.915 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.616 HG12 ' O ' ' A' ' 150' ' ' SER . 6.3 t -108.03 115.56 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 1.0 110.668 179.319 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -82.24 -30.74 30.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.228 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.616 ' O ' HG12 ' A' ' 148' ' ' VAL . 73.0 m -106.77 141.51 37.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.139 -178.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' SER . . . . . 0.4 ' OG ' HG21 ' A' ' 103' ' ' ILE . 8.7 p -140.5 121.01 14.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.914 0.388 . . . . 1.0 111.137 -179.284 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 64.8 tp -115.07 129.29 56.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.013 177.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.704 HG13 ' HB3' ' A' ' 101' ' ' ARG . 2.9 p -117.69 155.7 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.07 0.462 . . . . 1.0 111.204 -177.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 153' ' ' VAL . 49.8 t -159.17 111.14 1.55 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.701 -0.682 . . . . 1.0 109.965 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -83.94 152.72 12.86 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 122.923 2.415 . . . . 1.0 112.735 -179.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 41.0 mt -117.79 96.72 5.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.211 178.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 19.5 ptm -119.64 137.36 53.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.762 -178.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' HIS . . . . . 0.487 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 71.8 t60 -119.82 123.88 44.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.053 -0.522 . . . . 1.0 110.456 177.337 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.486 ' CB ' ' O ' ' A' ' 158' ' ' HIS . 23.7 t-80 79.01 -114.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.373 -178.248 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -121.01 4.18 10.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.44 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -117.77 162.0 18.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.588 -177.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.598 HD12 ' N ' ' A' ' 162' ' ' LEU . 6.9 mp -105.34 124.02 48.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.463 177.507 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -100.22 -39.85 7.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.871 -177.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -148.48 -177.66 22.93 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.203 -0.759 . . . . 1.0 111.203 -178.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 3.6 tp -145.16 130.27 18.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.788 0.328 . . . . 1.0 110.456 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.527 ' HB3' ' O ' ' A' ' 154' ' ' VAL . 12.4 tp -105.93 140.73 38.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.606 177.406 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.512 ' CG1' ' NE2' ' A' ' 169' ' ' HIS . 37.2 t -148.13 137.27 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.696 -176.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 1.1 p -123.85 142.22 51.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.428 178.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 169' ' ' HIS . . . . . 0.512 ' NE2' ' CG1' ' A' ' 167' ' ' VAL . 88.1 m-70 -139.51 142.73 37.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.766 -179.381 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 170' ' ' HIS . . . . . 0.926 ' CE1' ' HG1' ' A' ' 48' ' ' THR . 1.2 p-80 -172.67 168.59 5.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.474 -179.088 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -53.51 -174.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.61 178.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 55.2 tt0 -117.63 82.42 15.97 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.578 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -85.31 -35.24 0.16 Allowed 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.842 2.361 . . . . 1.0 112.098 179.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -160.64 154.0 18.48 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.456 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.73 179.56 2.59 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.764 2.309 . . . . 1.0 112.059 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -101.51 125.0 48.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.658 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 59.9 p -85.35 147.8 26.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.613 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -66.95 -35.53 80.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.457 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.3 -46.51 90.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.474 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -74.25 -31.99 62.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.432 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 20.1 tp -50.83 -52.67 39.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.397 -179.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -60.97 -51.89 67.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.273 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 93.9 t -43.11 -47.85 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.186 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 90.9 t -75.12 -35.67 35.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.147 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -50.4 -42.06 53.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.1 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 26.1 tp -73.22 -33.95 65.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.075 178.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 11.5 tp -57.14 -30.74 64.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.148 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -72.29 -39.17 68.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.082 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -58.2 -39.33 78.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.183 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -54.24 -56.64 16.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.181 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 95.2 t -56.33 -42.8 75.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.126 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 4.5 m -49.52 -33.6 15.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.098 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 70.0 mt -81.24 -33.97 13.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.062 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -69.21 -46.23 67.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.277 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 19.4 tt -64.18 -33.66 63.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.238 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.487 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -75.75 -55.36 5.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.356 179.074 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -56.07 -25.99 47.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.431 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -75.63 -34.85 60.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.51 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -54.19 -39.67 66.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.42 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 200' ' ' LEU . . . . . 0.637 ' N ' HD12 ' A' ' 200' ' ' LEU . 9.4 mp -56.68 -62.52 1.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.548 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 22.7 m -61.73 -46.29 90.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.434 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 16.2 tp . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.979 -1.01 . . . . 1.0 110.526 179.857 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 301' ' ' CYC . . . . . 0.699 HBC1 ' CA ' ' A' ' 138' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.2 tp . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.808 0.337 . . . . 1.0 110.589 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 65' ' ' VAL . 51.3 t0 -64.99 -33.49 76.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.604 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -77.07 -54.84 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.55 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.732 HD13 ' O ' ' A' ' 34' ' ' ILE . 0.3 OUTLIER -56.32 -35.67 43.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.519 -178.15 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.436 ' N ' ' CG2' ' A' ' 34' ' ' ILE . 84.7 mt -73.01 -27.58 61.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.637 -179.464 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.414 ' O ' HG12 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -58.51 -34.38 70.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.602 179.296 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.46 -23.27 34.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.626 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 34' ' ' ILE . 72.9 p -75.97 -47.21 25.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.672 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.515 HG13 ' N ' ' A' ' 40' ' ' GLU . 7.8 p -58.3 -42.13 82.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.691 -178.607 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.515 ' N ' HG13 ' A' ' 39' ' ' VAL . 23.6 pt-20 -75.86 -38.87 57.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.573 -178.618 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.4 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 41.0 mm-40 -63.8 -42.34 97.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.511 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.54 -51.61 61.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.49 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.572 ' O ' ' N ' ' A' ' 47' ' ' GLY . 34.5 ttp180 -47.32 -40.44 17.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.536 179.3 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.16 -37.6 80.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.575 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -78.74 -50.48 11.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.529 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.565 HD21 HG11 ' A' ' 184' ' ' VAL . 57.7 mt -77.89 -5.29 50.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.542 179.099 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.572 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 42.55 19.13 0.05 OUTLIER Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 178.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.639 ' HG1' ' CE1' ' A' ' 170' ' ' HIS . 1.7 m -71.78 137.17 47.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.814 0.34 . . . . 1.0 110.559 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' A' ' 70' ' ' GLY . 87.7 m-20 -53.54 -42.94 67.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.597 -177.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.623 HH12 HD11 ' A' ' 77' ' ' LEU . 21.8 ttm180 -136.2 126.44 26.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.018 -175.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.4 t -142.2 129.85 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.902 -0.59 . . . . 1.0 109.893 175.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.439 ' HE3' HAB2 ' A' ' 301' ' ' CYC . 40.0 pttt -144.13 154.42 43.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.128 0.49 . . . . 1.0 111.25 -177.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 56.3 t -101.08 137.54 28.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.721 -0.672 . . . . 1.0 109.886 178.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.465 ' HB2' HBB1 ' A' ' 301' ' ' CYC . 14.0 t80 -122.84 119.88 31.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.927 0.394 . . . . 1.0 111.268 -179.121 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.483 ' CG ' ' N ' ' A' ' 56' ' ' PHE . 50.2 ttm-85 -94.33 164.8 12.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.012 -0.54 . . . . 1.0 109.903 -179.404 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.483 ' N ' ' CG ' ' A' ' 55' ' ' ARG . 82.3 t80 -129.67 145.93 51.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.001 0.429 . . . . 1.0 110.879 -178.299 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 21.7 t70 -117.41 134.05 23.16 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.336 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -44.15 -29.3 2.76 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.711 2.274 . . . . 1.0 112.049 179.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -73.76 -8.22 55.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.451 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.19 18.5 31.13 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.86 -0.896 . . . . 1.0 110.86 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.474 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 96.2 m-70 -116.12 140.96 48.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.843 0.354 . . . . 1.0 110.733 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.435 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -135.22 157.93 23.36 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.567 -1.013 . . . . 1.0 110.567 179.168 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.51 HG22 HG22 ' A' ' 81' ' ' THR . 81.0 p -139.38 159.3 42.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 1.0 110.739 -178.467 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.9 t -98.55 114.61 36.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.205 176.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.411 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 12.1 m -101.24 2.79 10.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.829 -177.337 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.413 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -161.46 148.81 14.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.378 . . . . 1.0 110.904 -179.414 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.522 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 88.7 tt0 -165.88 125.27 1.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.312 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -121.32 130.74 53.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.799 178.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.514 ' O ' ' NH1' ' A' ' 43' ' ' ARG . 67.8 mtm180 -111.66 140.24 46.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.51 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -91.15 -111.43 1.65 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 72' ' ' GLU . . . -57.04 -18.64 27.66 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.783 -0.927 . . . . 1.0 110.783 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.477 ' CB ' ' O ' ' A' ' 71' ' ' GLY . 41.6 tt0 79.27 60.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.77 0.319 . . . . 1.0 110.602 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.437 ' HG3' ' H ' ' A' ' 74' ' ' LEU . 6.6 ptm180 -87.09 -49.76 7.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.487 178.59 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.437 ' H ' ' HG3' ' A' ' 73' ' ' ARG . 17.9 mt -99.24 166.54 12.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.506 178.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.546 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 4.7 Cg_exo -78.64 174.26 12.55 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.782 2.321 . . . . 1.0 112.066 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 34.5 t -90.19 132.27 35.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.724 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.623 HD11 HH12 ' A' ' 50' ' ' ARG . 37.2 mt -106.42 -11.57 15.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.504 -178.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.522 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 21.3 tp -40.24 135.37 1.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.558 -178.307 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.57 -0.25 67.71 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.901 -0.88 . . . . 1.0 110.901 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.755 HD23 ' N ' ' A' ' 81' ' ' THR . 3.6 tt -94.03 126.27 39.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 1.0 110.516 -179.48 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.755 ' N ' HD23 ' A' ' 80' ' ' LEU . 2.0 p -95.33 129.48 42.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.547 178.339 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.43 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 23.4 m-85 -104.27 147.71 34.79 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.556 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -79.65 145.37 18.23 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.902 2.401 . . . . 1.0 112.219 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.38 -34.21 66.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.65 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.28 -25.3 18.6 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.997 -0.841 . . . . 1.0 110.997 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -57.24 -30.23 64.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.35 . . . . 1.0 110.574 -179.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.565 ' O ' ' O ' ' A' ' 88' ' ' PRO . 38.5 mm -113.47 98.76 47.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.582 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.565 ' O ' ' O ' ' A' ' 87' ' ' ILE . 74.8 Cg_exo -48.81 -127.11 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.858 2.372 . . . . 1.0 112.189 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -148.83 -64.36 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.568 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -46.13 -39.72 9.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.574 -178.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.582 ' CB ' HAD2 ' A' ' 301' ' ' CYC . . . -70.21 -49.15 53.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.535 179.333 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -60.88 -27.15 67.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.559 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 96' ' ' ARG . 61.7 mtp85 -61.94 -47.29 85.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.473 -178.507 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.541 ' O ' ' N ' ' A' ' 98' ' ' ALA . 16.6 mt -48.39 -45.4 35.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.538 -179.183 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.547 ' CZ ' HBA1 ' A' ' 301' ' ' CYC . 56.6 m-85 -63.61 -25.02 68.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.79 178.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 93' ' ' ARG . 48.4 mtp85 -87.85 -22.48 24.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.716 179.27 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.418 HD21 ' O ' ' A' ' 123' ' ' ALA . 14.0 mt -103.37 -47.6 4.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.2 -178.143 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -98.95 -15.19 19.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.433 -175.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.489 ' C ' ' O ' ' A' ' 98' ' ' ALA . 87.0 mt-30 34.57 63.23 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.384 178.573 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 12.7 t -96.09 -47.09 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.828 177.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.1 mtt180 61.1 50.27 5.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.289 173.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.602 ' C ' HD12 ' A' ' 103' ' ' ILE . 71.5 t -152.52 127.16 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.614 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.688 HD12 ' N ' ' A' ' 103' ' ' ILE . 1.9 mp -107.41 136.85 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.694 177.635 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.651 HG12 ' N ' ' A' ' 105' ' ' ASP . 54.9 t -81.88 167.8 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.35 -178.19 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.651 ' N ' HG12 ' A' ' 104' ' ' VAL . 44.2 m-20 -52.57 121.3 6.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.399 -178.55 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.8 m -58.79 -10.04 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.565 178.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -78.8 -34.87 45.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.283 -179.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.37 -10.89 1.53 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.34 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 48.4 59.98 3.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.691 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.541 ' O ' ' O ' ' A' ' 135' ' ' VAL . 2.5 t -86.35 142.4 28.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.359 175.392 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -121.77 125.6 46.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.797 -178.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.459 ' O ' ' CG ' ' A' ' 136' ' ' ASP . 0.8 OUTLIER -133.75 113.87 12.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.233 178.662 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.889 ' H ' HD13 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -120.38 -172.29 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.762 -179.626 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.404 ' O ' HG12 ' A' ' 113' ' ' ILE . 7.0 t -73.51 173.82 9.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.708 -178.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -140.76 92.81 8.71 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.519 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -42.1 -28.04 0.77 Allowed 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.82 2.347 . . . . 1.0 112.223 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.45 ' O ' ' O ' ' A' ' 118' ' ' SER . 44.5 tp10 -65.96 -51.11 61.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.622 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.45 ' O ' ' O ' ' A' ' 117' ' ' GLU . 33.7 m 39.29 -162.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.614 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 45.62 44.23 10.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.568 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -57.38 -32.69 64.45 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.507 HD23 ' C ' ' A' ' 121' ' ' LEU . 2.1 tt -165.29 -64.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.885 0.374 . . . . 1.0 110.645 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 32.9 t -150.9 169.4 21.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.524 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.418 ' O ' HD21 ' A' ' 97' ' ' LEU . . . -67.52 -51.61 48.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.556 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -104.39 82.46 1.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.514 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.615 ' O ' HG23 ' A' ' 125' ' ' VAL . 33.6 m -99.32 112.76 63.96 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.578 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 127' ' ' LEU . 75.1 Cg_exo -46.92 125.85 10.4 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.797 2.331 . . . . 1.0 112.129 179.455 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 126' ' ' PRO . 44.4 mt 36.4 -118.47 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.537 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 57.89 34.61 72.21 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -136.05 160.09 68.54 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 1.0 110.625 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.523 ' O ' ' NH2' ' A' ' 133' ' ' ARG . 89.1 Cg_exo -45.2 157.4 0.24 Allowed 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.842 2.361 . . . . 1.0 112.209 179.41 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.661 ' N ' HD12 ' A' ' 131' ' ' LEU . 8.7 mp -80.22 -4.07 51.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.447 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -138.61 160.34 39.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.393 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.589 ' CA ' ' HE ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -113.2 103.34 55.57 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.663 179.758 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -76.91 142.59 22.42 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.762 2.308 . . . . 1.0 112.02 -178.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.541 ' O ' ' O ' ' A' ' 110' ' ' SER . 16.2 m -100.92 159.43 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.565 -179.018 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.618 ' OD1' ' N ' ' A' ' 136' ' ' ASP . 0.0 OUTLIER -92.27 152.58 42.59 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.472 -179.326 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.556 ' O ' ' CD2' ' A' ' 141' ' ' HIS . 3.4 Cg_endo -45.34 -34.88 10.86 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.859 2.373 . . . . 1.0 111.933 -178.278 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.671 ' CA ' HBC1 ' A' ' 301' ' ' CYC . 0.1 OUTLIER -66.12 -44.0 85.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.458 177.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.606 ' CE1' HD13 ' A' ' 143' ' ' LEU . 38.3 t-80 -76.13 -32.5 59.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.316 178.722 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 52.6 t -51.59 -53.85 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.42 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.556 ' CD2' ' O ' ' A' ' 137' ' ' PRO . 11.1 m-70 -62.1 -41.92 98.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.465 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -44.41 -48.02 9.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.38 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.606 HD13 ' CE1' ' A' ' 139' ' ' HIS . 7.9 mp -70.11 -49.81 47.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.313 178.586 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -55.34 -41.46 72.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.414 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 21.8 m -53.91 -27.1 28.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.49 179.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 55.4 mtt -90.09 0.77 56.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.476 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 68.45 24.88 75.06 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.936 -0.866 . . . . 1.0 110.936 178.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.574 HG22 ' O ' ' A' ' 150' ' ' SER . 3.7 p -109.69 124.54 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 1.0 110.699 178.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -86.62 -33.15 20.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.287 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.574 ' O ' HG22 ' A' ' 148' ' ' VAL . 67.1 m -112.27 152.88 27.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.098 -178.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.9 m -150.58 116.23 5.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.013 0.435 . . . . 1.0 111.06 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 47.1 tp -104.13 133.45 49.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.933 -0.576 . . . . 1.0 109.927 178.256 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.427 ' C ' ' CG2' ' A' ' 154' ' ' VAL . 9.8 p -128.65 151.97 36.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.055 0.455 . . . . 1.0 111.175 -178.519 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.427 ' CG2' ' C ' ' A' ' 153' ' ' VAL . 1.3 t -151.75 78.34 6.82 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 115.655 -0.702 . . . . 1.0 109.977 -179.095 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -51.82 152.62 13.08 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.862 2.374 . . . . 1.0 112.728 -176.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 28.2 mt -112.54 97.45 6.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.2 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 43.8 mtp -106.93 124.3 49.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.708 -178.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' HIS . . . . . 0.458 ' CD2' ' HB2' ' A' ' 196' ' ' ALA . 26.1 t-80 -110.99 123.8 50.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.383 176.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.449 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 30.6 t-80 69.56 -113.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.357 -177.525 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 160' ' ' GLN . . . . . 0.421 ' N ' ' CG ' ' A' ' 159' ' ' HIS . 16.9 tt0 -120.82 4.65 10.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.441 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -117.63 167.93 10.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.598 -177.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 5.8 tt -104.3 121.54 43.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.451 178.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' TRP . . . . . 0.445 ' CD1' ' N ' ' A' ' 163' ' ' TRP . 25.7 m95 -104.72 -40.89 5.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.867 -176.562 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -139.64 172.42 23.33 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.28 -0.728 . . . . 1.0 111.28 -178.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 5.6 tp -144.26 128.37 17.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.714 0.293 . . . . 1.0 110.477 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.404 ' O ' HG23 ' A' ' 153' ' ' VAL . 11.7 tp -104.48 135.67 45.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.636 178.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.428 HG11 ' OB ' ' A' ' 301' ' ' CYC . 38.3 t -139.58 138.35 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.732 -178.541 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 168' ' ' SER . . . . . 0.65 ' C ' ' HD1' ' A' ' 169' ' ' HIS . 0.1 OUTLIER -126.69 136.12 52.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.433 178.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 169' ' ' HIS . . . . . 0.65 ' HD1' ' C ' ' A' ' 168' ' ' SER . 0.7 OUTLIER -134.53 138.55 44.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.951 0.405 . . . . 1.0 110.703 -179.681 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 170' ' ' HIS . . . . . 0.639 ' CE1' ' HG1' ' A' ' 48' ' ' THR . 1.3 p-80 -170.85 167.41 7.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.492 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.429 ' N ' ' NH1' ' A' ' 73' ' ' ARG . . . -56.39 -170.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.644 178.581 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -118.43 80.93 16.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.621 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -84.79 -54.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.859 2.373 . . . . 1.0 112.092 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -146.94 152.85 44.94 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.563 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.42 174.8 5.74 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.769 2.313 . . . . 1.0 112.101 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 176' ' ' TYR . . . . . 0.437 ' CD1' ' O ' ' A' ' 176' ' ' TYR . 20.1 p90 -116.82 139.01 51.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.613 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 73.8 p -92.32 147.78 22.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.546 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -66.5 -34.98 79.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.425 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -59.78 -50.23 74.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.401 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -69.44 -31.3 69.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.42 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 30.0 tp -56.77 -36.7 70.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.447 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -68.07 -50.89 52.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.291 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 55.8 t -43.45 -50.89 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.202 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 184' ' ' VAL . . . . . 0.565 HG11 HD21 ' A' ' 46' ' ' LEU . 29.2 m -73.98 -35.41 42.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.174 -179.088 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -46.61 -32.95 3.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.075 177.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 26.4 tp -74.72 -41.64 59.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.062 178.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 4.1 mt -53.42 -33.17 52.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.018 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -76.73 -40.66 47.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.074 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -57.62 -39.23 76.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.2 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -53.59 -51.81 61.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.101 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 95.2 t -53.67 -42.31 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.085 179.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 2.8 m -49.61 -36.18 23.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.046 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 193' ' ' ILE . . . . . 0.48 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.6 mp -81.02 -32.87 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.147 179.285 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -69.15 -47.28 65.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.236 -178.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 2.2 pp -66.38 -32.55 58.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.247 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.458 ' HB2' ' CD2' ' A' ' 158' ' ' HIS . . . -74.61 -55.55 5.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.379 178.704 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -58.81 -25.54 63.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.306 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -74.59 -37.04 62.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.485 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -52.17 -37.73 55.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.484 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 200' ' ' LEU . . . . . 0.621 ' N ' HD12 ' A' ' 200' ' ' LEU . 9.7 mp -59.78 -57.14 14.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.56 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 23.0 t -50.93 -41.85 59.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.488 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 20.4 mt . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.003 -0.998 . . . . 1.0 110.563 179.845 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 301' ' ' CYC . . . . . 0.671 HBC1 ' CA ' ' A' ' 138' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.9 tp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.803 0.335 . . . . 1.0 110.528 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.8 p-10 -56.54 -31.96 64.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.619 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -77.57 -47.5 19.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.594 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.584 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.4 mp -63.06 -32.76 57.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.608 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.423 ' O ' HG22 ' A' ' 38' ' ' THR . 95.9 mt -79.22 -21.16 46.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.561 -179.215 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.507 ' O ' HG12 ' A' ' 39' ' ' VAL . 20.6 ttm180 -75.13 -34.05 61.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.543 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.35 -29.85 25.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.677 -178.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.533 ' CG2' ' N ' ' A' ' 39' ' ' VAL . 2.6 t -74.4 -42.76 58.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.607 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.533 ' N ' ' CG2' ' A' ' 38' ' ' THR . 6.3 p -56.3 -39.89 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.642 -179.579 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.468 ' N ' HG13 ' A' ' 39' ' ' VAL . 23.0 pt-20 -77.94 -33.28 51.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.551 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.42 -44.45 95.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.503 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.76 -44.52 96.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.453 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.564 ' O ' ' N ' ' A' ' 47' ' ' GLY . 55.3 ttp85 -47.83 -45.14 29.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.565 179.609 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.05 -38.12 81.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.519 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -76.41 -52.57 9.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.469 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.572 ' O ' ' N ' ' A' ' 48' ' ' THR . 10.9 mp -78.93 -4.37 49.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.541 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 41.05 19.76 0.03 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 178.425 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.572 ' N ' ' O ' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -73.69 140.92 46.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.765 0.317 . . . . 1.0 110.644 179.617 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.444 ' O ' ' HA ' ' A' ' 69' ' ' ARG . 96.1 m-20 -48.28 -45.56 34.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.564 -176.326 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -142.59 140.1 31.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.998 0.428 . . . . 1.0 111.011 -175.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.45 HG13 HG21 ' A' ' 48' ' ' THR . 0.0 OUTLIER -146.1 135.28 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.891 -0.595 . . . . 1.0 109.843 175.756 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -142.78 155.45 44.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.97 0.414 . . . . 1.0 111.289 -179.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.734 HG12 ' HB3' ' A' ' 66' ' ' ALA . 9.6 p -103.55 137.45 31.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.747 -0.661 . . . . 1.0 109.843 178.334 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.642 ' HB2' HBB1 ' A' ' 301' ' ' CYC . 15.6 t80 -120.01 118.96 32.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.939 0.4 . . . . 1.0 111.231 -178.324 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -94.47 165.33 12.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.008 -0.542 . . . . 1.0 109.929 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.518 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 77.3 t80 -130.21 145.14 51.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.95 0.405 . . . . 1.0 110.835 -178.485 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.518 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 1.2 m-20 -115.12 148.12 39.93 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.238 179.265 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.01 -21.89 60.86 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.713 2.276 . . . . 1.0 112.036 -178.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' A' ' 59' ' ' GLU . 58.4 mp0 -79.81 -5.99 56.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.49 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 100.08 -12.12 60.48 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.784 -0.926 . . . . 1.0 110.784 178.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -84.2 141.95 30.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.879 0.371 . . . . 1.0 110.758 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -131.2 151.74 19.78 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.59 -1.004 . . . . 1.0 110.59 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.41 HG22 HG22 ' A' ' 81' ' ' THR . 77.9 p -136.46 156.73 48.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 1.0 110.778 -177.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.4 t -101.31 118.75 48.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.256 175.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.6 m -105.18 2.39 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.858 -175.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.734 ' HB3' HG12 ' A' ' 53' ' ' VAL . . . -157.14 147.47 21.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.91 0.386 . . . . 1.0 110.927 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.493 ' CD ' ' H ' ' A' ' 77' ' ' LEU . 55.3 tt0 -166.47 124.09 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.235 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.479 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -129.74 147.7 51.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.794 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.444 ' HA ' ' O ' ' A' ' 49' ' ' ASP . 5.1 ptp85 -145.09 149.98 36.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.493 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.45 ' C ' ' H ' ' A' ' 72' ' ' GLU . . . -101.88 -99.98 2.46 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.831 -0.908 . . . . 1.0 110.831 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -50.89 -10.58 0.44 Allowed Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.45 ' H ' ' C ' ' A' ' 70' ' ' GLY . 70.0 tt0 62.8 57.18 1.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 1.0 110.625 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 48.0 ttm-85 -80.78 -56.81 3.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.526 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 27.9 mt -89.87 164.5 28.35 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.486 178.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -81.11 171.97 13.42 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.763 2.309 . . . . 1.0 112.018 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 51.9 p -90.88 133.42 35.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.658 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.493 ' H ' ' CD ' ' A' ' 67' ' ' GLU . 28.1 mt -109.71 -9.98 14.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.453 -179.239 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.5 tp -42.05 136.5 2.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.572 -177.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.35 -2.68 78.56 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.861 -0.896 . . . . 1.0 110.861 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.3 tp -91.04 127.94 36.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 1.0 110.578 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.41 HG22 HG22 ' A' ' 63' ' ' THR . 3.0 p -98.95 128.36 45.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.611 178.427 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 13.8 m-85 -96.65 140.37 22.12 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.539 -179.183 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.37 144.0 22.59 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.795 2.33 . . . . 1.0 112.194 178.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.22 -41.45 75.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.619 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.0 -25.27 7.32 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.026 -0.829 . . . . 1.0 111.026 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.489 ' OD2' HMB3 ' A' ' 301' ' ' CYC . 64.4 t0 -56.81 -30.73 64.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.832 0.349 . . . . 1.0 110.562 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.588 ' O ' ' O ' ' A' ' 88' ' ' PRO . 9.2 mt -120.07 97.2 49.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.465 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.588 ' O ' ' O ' ' A' ' 87' ' ' ILE . 86.6 Cg_exo -43.14 -116.33 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.82 2.346 . . . . 1.0 112.18 -179.348 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.417 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 13.7 tm-20 -158.1 -41.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.521 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 91' ' ' ALA . 21.3 pt-20 -64.92 -43.43 92.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.568 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.465 ' HB1' HBA1 ' A' ' 301' ' ' CYC . . . -60.4 -32.36 71.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.595 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -69.1 -22.46 63.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.652 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 97' ' ' LEU . 18.8 mmm180 -55.43 -58.12 9.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.514 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.684 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 48.5 mt -54.08 -36.98 63.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.505 179.252 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -68.38 -29.41 68.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.736 178.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.476 ' HE ' ' HA ' ' A' ' 96' ' ' ARG . 0.3 OUTLIER -89.56 -26.17 20.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.613 179.464 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 93' ' ' ARG . 10.8 mp -103.1 -41.63 6.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.262 -178.636 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.684 ' HB3' ' O ' ' A' ' 94' ' ' LEU . . . -90.87 -24.06 20.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.52 -178.51 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.48 ' C ' ' O ' ' A' ' 98' ' ' ALA . 94.9 mt-30 34.23 63.48 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.305 179.078 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.573 HG23 ' N ' ' A' ' 101' ' ' ARG . 23.2 m -111.03 -45.46 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.793 177.541 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.616 ' C ' HG13 ' A' ' 153' ' ' VAL . 6.7 mpt_? 52.94 61.59 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.288 176.535 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.587 ' C ' HD12 ' A' ' 103' ' ' ILE . 39.7 t -149.26 127.38 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.613 179.221 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.641 HD12 ' N ' ' A' ' 103' ' ' ILE . 1.8 mp -106.68 129.55 60.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.752 178.407 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.554 HG12 ' H ' ' A' ' 105' ' ' ASP . 4.7 t -84.31 168.93 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.32 -178.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.554 ' H ' HG12 ' A' ' 104' ' ' VAL . 28.9 t0 -58.39 119.3 6.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.452 -178.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 106' ' ' VAL . 11.3 p -51.92 -10.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.567 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.691 ' C ' ' H ' ' A' ' 109' ' ' GLN . 0.8 OUTLIER -93.35 -27.56 16.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.332 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 109' ' ' GLN . . . -63.16 23.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.312 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.691 ' H ' ' C ' ' A' ' 107' ' ' GLU . 78.1 mt-30 73.03 49.88 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.7 177.654 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 11.5 t -86.36 115.99 24.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.439 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 54.3 mtp85 -152.72 106.77 3.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.811 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.413 ' C ' HG23 ' A' ' 113' ' ' ILE . 2.1 t -106.0 153.49 21.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.142 179.457 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.413 HG23 ' C ' ' A' ' 112' ' ' SER . 31.5 pt -154.34 159.27 3.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.737 -179.104 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.6 t -82.31 170.73 15.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.671 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -143.81 146.8 36.14 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.477 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.01 -21.66 27.4 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.854 2.369 . . . . 1.0 112.156 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 118' ' ' SER . 77.5 mm-40 -62.07 -31.64 72.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.585 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 117' ' ' GLU . 1.8 p 79.17 -174.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.647 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 35.4 p90 -142.83 170.44 15.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.571 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.481 ' O ' ' N ' ' A' ' 122' ' ' SER . . . -177.51 -91.8 0.08 OUTLIER Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.544 ' C ' ' H ' ' A' ' 123' ' ' ALA . 25.7 mt 60.42 -78.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.778 0.323 . . . . 1.0 110.558 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 120' ' ' GLY . 14.1 t 51.92 6.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.551 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.544 ' H ' ' C ' ' A' ' 121' ' ' LEU . . . -79.68 -11.51 59.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.54 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 62.58 76.18 0.37 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.529 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 7.4 t -96.99 112.6 61.1 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.538 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -45.55 125.75 7.95 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 122.814 2.343 . . . . 1.0 112.086 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 22.3 mt 39.79 -149.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.64 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 93.62 -11.03 72.02 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.518 ' N ' ' CD ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -91.9 160.14 36.56 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.98 0.419 . . . . 1.0 110.576 179.699 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -49.15 160.38 0.82 Allowed 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.859 2.373 . . . . 1.0 112.115 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.669 ' N ' HD12 ' A' ' 131' ' ' LEU . 8.5 mp -78.85 1.35 23.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.502 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -139.65 161.77 36.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.419 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.517 ' CZ ' ' O ' ' A' ' 134' ' ' PRO . 0.0 OUTLIER -120.97 86.56 42.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.589 -179.611 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 134' ' ' PRO . . . . . 0.517 ' O ' ' CZ ' ' A' ' 133' ' ' ARG . 32.2 Cg_exo -56.43 142.84 88.72 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.763 2.309 . . . . 1.0 111.98 178.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.562 HG12 HBD1 ' A' ' 301' ' ' CYC . 0.0 OUTLIER -125.69 133.54 68.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.506 -179.42 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.515 ' HB2' HBD2 ' A' ' 301' ' ' CYC . 33.5 m-20 -45.31 155.16 0.45 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.441 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -48.14 -11.27 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.799 2.333 . . . . 1.0 111.939 178.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 136' ' ' ASP . 0.0 OUTLIER -59.08 -41.95 89.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.374 178.912 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.543 ' NE2' HG23 ' A' ' 135' ' ' VAL . 0.2 OUTLIER -81.58 -28.81 33.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.292 -179.177 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.411 ' N ' ' CD2' ' A' ' 139' ' ' HIS . 22.5 t -48.72 -64.68 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.533 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.564 ' O ' ' N ' ' A' ' 145' ' ' SER . 83.2 t60 -61.18 -40.79 95.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.409 177.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' TYR . . . . . 0.411 ' CE2' ' CE ' ' A' ' 146' ' ' MET . 7.7 t80 -51.59 -60.89 2.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.405 178.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.9 mp -61.45 -53.65 53.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.369 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 147' ' ' GLY . 2.8 tmtt? -55.87 -40.83 73.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.47 179.518 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.564 ' N ' ' O ' ' A' ' 141' ' ' HIS . 14.5 t -54.53 -31.92 57.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.473 179.366 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' MET . . . . . 0.411 ' CE ' ' CE2' ' A' ' 142' ' ' TYR . 6.0 mtt -85.3 -4.63 59.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.443 176.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 144' ' ' LYS . . . 76.59 26.64 62.7 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 170' ' ' HIS . 16.8 t -108.55 110.82 33.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.797 0.332 . . . . 1.0 110.695 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -72.57 -30.93 64.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.26 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.503 ' CB ' ' OE1' ' A' ' 172' ' ' GLU . 28.3 m -144.47 121.38 11.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.141 -179.116 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 13.9 p -115.3 130.67 56.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.976 0.417 . . . . 1.0 111.072 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 29.3 tp -100.26 115.63 30.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.978 -0.555 . . . . 1.0 109.919 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.616 HG13 ' C ' ' A' ' 101' ' ' ARG . 2.5 p -106.27 157.29 6.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.055 0.455 . . . . 1.0 111.265 -179.187 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.478 ' N ' HG22 ' A' ' 153' ' ' VAL . 93.7 t -153.64 126.58 4.1 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 115.762 -0.654 . . . . 1.0 109.986 -178.159 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -89.36 151.19 5.45 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.931 2.421 . . . . 1.0 112.649 -174.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 24.3 mt -117.15 96.52 5.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.248 176.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 49.8 mtp -105.57 127.41 53.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.776 -176.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' HIS . . . . . 0.586 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 16.6 t-80 -120.75 121.92 39.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.361 175.56 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.503 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 22.3 t-80 78.26 -119.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.4 -176.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -121.1 3.56 10.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.402 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -119.33 167.68 11.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.565 -178.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 14.1 tp -101.96 121.52 42.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.492 178.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' TRP . . . . . 0.511 ' CD1' ' N ' ' A' ' 163' ' ' TRP . 19.5 m95 -103.04 -42.78 5.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.826 -177.256 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -140.45 176.13 21.59 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.226 -0.75 . . . . 1.0 111.226 -178.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 3.6 tp -147.91 127.75 13.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 1.0 110.469 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 154' ' ' VAL . 60.5 tp -98.87 140.1 33.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.557 178.176 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 5.4 t -143.93 144.25 23.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.688 -176.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 4.3 m -126.67 144.2 50.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.41 177.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -126.78 130.28 49.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.403 . . . . 1.0 110.71 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 170' ' ' HIS . . . . . 0.442 ' O ' HG13 ' A' ' 148' ' ' VAL . 1.5 p-80 -171.73 166.04 6.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.555 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -62.55 -155.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.602 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 172' ' ' GLU . . . . . 0.503 ' OE1' ' CB ' ' A' ' 150' ' ' SER . 24.1 tp10 -124.46 78.49 62.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.585 179.278 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -84.67 -52.09 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.833 2.355 . . . . 1.0 112.063 179.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -147.69 151.26 38.68 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.514 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.31 177.42 3.21 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.764 2.309 . . . . 1.0 112.048 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -109.2 115.63 30.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.596 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 46.4 m -69.32 144.37 53.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.572 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -66.23 -39.72 89.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.535 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -64.43 -54.47 32.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.502 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -65.26 -33.08 75.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.427 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 25.3 tp -57.52 -42.45 82.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.446 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -60.34 -48.54 81.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.344 -179.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 54.0 t -42.64 -49.76 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.103 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 91.1 t -72.92 -38.15 55.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.217 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -46.88 -33.97 5.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.095 178.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 10.7 mp -74.09 -41.23 61.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.092 178.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 187' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 187' ' ' LEU . 93.5 mt -53.87 -30.83 47.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.066 178.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -74.24 -38.91 63.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.061 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -59.15 -40.14 84.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.171 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -52.54 -54.33 34.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.113 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 81.9 t -54.89 -41.01 55.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.155 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 3.9 t -48.85 -36.0 15.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.16 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 193' ' ' ILE . . . . . 0.441 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -79.16 -32.77 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.969 -0.559 . . . . 1.0 110.074 179.383 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -70.5 -47.66 59.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.282 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 17.7 tt -64.23 -35.17 73.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.181 179.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.586 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -76.32 -55.72 5.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.346 178.713 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -56.11 -25.11 44.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.399 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -75.37 -35.43 61.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.463 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -52.5 -39.42 61.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.444 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 200' ' ' LEU . . . . . 0.547 ' C ' HD23 ' A' ' 200' ' ' LEU . 2.8 tt -54.31 -64.65 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.474 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 87.3 p -63.23 -47.44 82.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.466 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 11.6 tp . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.01 -0.995 . . . . 1.0 110.599 179.779 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 301' ' ' CYC . . . . . 0.642 HBB1 ' HB2' ' A' ' 54' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 64.3 tp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.841 0.353 . . . . 1.0 110.556 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -55.27 -34.53 64.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.568 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -74.15 -49.4 23.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.54 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.869 ' O ' HG23 ' A' ' 38' ' ' THR . 1.4 mp -60.44 -31.39 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.577 -178.277 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 92.7 mt -74.75 -25.88 59.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.598 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.501 ' O ' HG12 ' A' ' 39' ' ' VAL . 86.3 mtt180 -66.4 -35.73 81.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.621 178.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.22 -26.37 39.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.657 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.869 HG23 ' O ' ' A' ' 34' ' ' ILE . 43.3 p -76.84 -46.12 25.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.586 179.175 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.557 HG13 ' HB2' ' A' ' 68' ' ' ALA . 3.8 p -54.53 -36.5 35.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.65 -178.601 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.414 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 22.2 pt-20 -78.39 -32.17 48.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.575 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -63.7 -52.18 61.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.465 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.549 HG13 ' N ' ' A' ' 43' ' ' ARG . 7.2 p -61.63 -44.75 99.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.567 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.568 ' HE ' ' C ' ' A' ' 43' ' ' ARG . 1.6 tmm_? -47.91 -45.95 31.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.513 179.031 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.472 ' N ' ' HE ' ' A' ' 43' ' ' ARG . . . -58.97 -35.29 72.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.59 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -76.25 -51.91 11.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.5 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.624 ' N ' HD12 ' A' ' 46' ' ' LEU . 8.9 mp -79.97 -1.85 41.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.561 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 42.62 22.2 0.13 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 177.549 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.606 HG22 ' H ' ' A' ' 50' ' ' ARG . 1.2 m -75.71 137.07 40.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.845 0.355 . . . . 1.0 110.5 179.146 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.562 ' OD1' ' N ' ' A' ' 50' ' ' ARG . 30.8 p-10 -68.03 -20.24 64.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.603 -176.142 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.606 ' H ' HG22 ' A' ' 48' ' ' THR . 24.9 ttm180 -147.99 118.1 7.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.99 0.424 . . . . 1.0 111.011 -178.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.5 p -147.14 135.2 15.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.851 -0.613 . . . . 1.0 109.883 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.441 ' HE3' HAB2 ' A' ' 301' ' ' CYC . 45.9 pttt -145.86 156.3 43.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.99 0.424 . . . . 1.0 111.256 -177.409 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.702 HG12 ' HB3' ' A' ' 66' ' ' ALA . 9.9 p -95.87 138.5 21.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.691 -0.686 . . . . 1.0 109.839 177.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.817 ' CD1' HBB1 ' A' ' 301' ' ' CYC . 68.1 t80 -123.21 119.18 29.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.887 0.375 . . . . 1.0 111.236 -177.005 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -94.94 162.67 13.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.96 -0.564 . . . . 1.0 109.92 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -129.83 144.78 51.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.912 0.387 . . . . 1.0 110.897 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 61' ' ' HIS . 21.3 t70 -115.04 133.82 22.61 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.301 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -44.33 -29.53 3.11 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.638 2.226 . . . . 1.0 112.051 179.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -73.02 -8.72 57.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.436 -178.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.68 20.11 25.32 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.788 -0.925 . . . . 1.0 110.788 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.505 ' O ' ' N ' ' A' ' 57' ' ' ASP . 79.7 m80 -119.54 143.82 47.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 1.0 110.706 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.425 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -139.08 161.21 25.94 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.665 -0.974 . . . . 1.0 110.665 178.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 76.9 p -140.28 160.57 39.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.827 0.346 . . . . 1.0 110.763 -177.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.9 t -100.2 115.16 40.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.165 176.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.8 m -105.93 2.04 10.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.88 -176.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.702 ' HB3' HG12 ' A' ' 53' ' ' VAL . . . -159.31 148.12 18.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.879 0.371 . . . . 1.0 110.869 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -166.11 125.33 1.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.191 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.557 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -127.59 152.81 47.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.871 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.535 ' C ' HH11 ' A' ' 43' ' ' ARG . 35.2 ptt-85 -139.84 145.12 37.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.476 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.69 13.68 66.07 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.914 -0.875 . . . . 1.0 110.914 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -173.02 -120.3 0.56 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.789 -0.924 . . . . 1.0 110.789 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -175.66 50.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.768 0.318 . . . . 1.0 110.561 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 52.2 ttm-85 -79.96 -57.77 3.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.518 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.404 ' CB ' ' NH2' ' A' ' 50' ' ' ARG . 12.3 mt -97.05 166.68 13.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.515 178.44 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.518 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 2.9 Cg_exo -77.49 174.84 12.07 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.703 2.268 . . . . 1.0 112.064 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.9 m -95.53 140.33 30.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.722 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.551 HD11 ' NH1' ' A' ' 50' ' ' ARG . 43.4 mt -110.86 -12.79 14.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.438 -179.156 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.9 tp -43.38 137.97 2.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.553 -178.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.02 0.11 68.66 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.857 -0.897 . . . . 1.0 110.857 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.825 HD23 ' N ' ' A' ' 81' ' ' THR . 2.7 tt -99.79 130.01 45.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 1.0 110.576 -179.548 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.825 ' N ' HD23 ' A' ' 80' ' ' LEU . 12.9 t -96.98 132.54 42.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.641 178.48 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 23.2 m-85 -106.76 149.22 38.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.555 -179.301 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -80.42 147.63 18.06 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.868 2.379 . . . . 1.0 112.121 177.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.22 -32.34 72.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.702 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -51.47 -24.91 12.15 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -60.28 -29.3 68.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 1.0 110.602 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.62 ' O ' ' O ' ' A' ' 88' ' ' PRO . 86.9 mt -114.52 93.06 30.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.553 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.62 ' O ' ' O ' ' A' ' 87' ' ' ILE . 83.6 Cg_exo -43.81 -120.69 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.827 2.352 . . . . 1.0 112.198 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -154.66 -60.78 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.612 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.4 ' CG ' ' N ' ' A' ' 91' ' ' ALA . 11.2 pt-20 -45.85 -40.6 10.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.56 -178.538 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.4 ' N ' ' CG ' ' A' ' 90' ' ' GLU . . . -66.5 -44.91 81.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.571 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.593 HH21 ' CG2' ' A' ' 87' ' ' ILE . 39.1 ttm180 -60.16 -24.76 65.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.536 -178.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 96' ' ' ARG . 97.2 mtt180 -60.52 -51.85 67.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.475 -178.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.608 ' O ' ' N ' ' A' ' 98' ' ' ALA . 28.4 mt -47.29 -43.97 22.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.465 -179.338 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 32.6 m-85 -67.06 -25.01 66.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.756 179.308 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.479 ' C ' HD12 ' A' ' 97' ' ' LEU . 50.1 mtp180 -88.58 -25.61 22.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.7 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.479 HD12 ' C ' ' A' ' 96' ' ' ARG . 10.3 mp -104.99 -46.42 4.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.193 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.608 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -93.62 -18.28 22.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.43 -177.04 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.488 ' C ' ' O ' ' A' ' 98' ' ' ALA . 86.9 mt-30 34.4 63.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.266 178.149 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.562 HG23 ' N ' ' A' ' 101' ' ' ARG . 25.3 m -103.23 -45.13 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.856 176.134 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.562 ' N ' HG23 ' A' ' 100' ' ' VAL . 0.6 OUTLIER 58.95 56.75 3.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.273 173.352 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.625 ' C ' HD12 ' A' ' 103' ' ' ILE . 15.4 m -154.21 129.1 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.609 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.625 HD12 ' C ' ' A' ' 102' ' ' VAL . 1.7 mp -108.36 137.74 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.712 177.451 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.668 HG22 ' N ' ' A' ' 105' ' ' ASP . 11.2 p -79.54 168.63 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.298 -177.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.668 ' N ' HG22 ' A' ' 104' ' ' VAL . 28.1 m-20 -48.75 123.74 7.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.461 -178.637 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.404 ' CG2' HG13 ' A' ' 140' ' ' VAL . 9.8 p -60.65 -12.68 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.507 179.153 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -77.06 -32.57 56.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.302 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.39 -8.47 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.292 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 45.95 61.36 2.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.704 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 135' ' ' VAL . 17.9 p -86.28 140.11 30.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.386 175.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -122.81 131.65 53.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.841 -177.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.535 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 10.8 t -140.86 117.82 11.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.187 178.326 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 40.0 pt -120.31 -167.12 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.768 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.1 t -76.37 172.43 12.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.672 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -140.91 150.18 58.63 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.425 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.25 -32.98 9.78 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.838 2.358 . . . . 1.0 112.243 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.531 ' O ' ' N ' ' A' ' 119' ' ' TRP . 14.2 mm-40 -63.92 -40.18 95.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.582 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.7 t 40.69 21.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.642 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' TRP . . . . . 0.541 ' CD1' ' N ' ' A' ' 120' ' ' GLY . 71.2 t-105 -149.28 174.52 12.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.543 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.541 ' N ' ' CD1' ' A' ' 119' ' ' TRP . . . -156.63 -177.05 29.4 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 43.3 mt -57.16 -38.64 73.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 1.0 110.602 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 36.3 m -142.96 151.19 40.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.418 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.89 -61.09 1.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.562 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 68.5 ttp85 -102.63 82.25 2.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.567 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.634 ' O ' HG13 ' A' ' 125' ' ' VAL . 9.4 p -99.18 111.98 62.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.501 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -46.5 129.61 13.86 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.785 2.323 . . . . 1.0 112.149 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' A' ' 129' ' ' GLU . 8.1 tp 40.91 -115.01 0.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.62 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 61.2 -0.29 1.33 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.484 ' H ' ' C ' ' A' ' 127' ' ' LEU . 40.1 mm-40 -103.89 155.71 36.67 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.818 0.342 . . . . 1.0 110.651 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -46.32 154.49 0.87 Allowed 'Trans proline' 0 C--N 1.303 -1.838 0 C-N-CA 122.897 2.398 . . . . 1.0 112.092 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.4 tp -71.38 -2.16 15.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.432 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -138.61 163.53 31.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.464 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.565 ' NE ' HD13 ' A' ' 94' ' ' LEU . 9.1 mmp_? -116.86 108.91 43.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.733 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -79.85 140.69 14.67 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.709 2.273 . . . . 1.0 111.926 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.883 HG21 ' ND1' ' A' ' 139' ' ' HIS . 35.8 m -124.55 133.24 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.536 -177.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.535 ' HA ' ' H ' ' A' ' 112' ' ' SER . 0.1 OUTLIER -43.29 159.85 0.22 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.452 179.195 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -55.07 -48.72 19.51 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.857 2.371 . . . . 1.0 111.929 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.506 ' SG ' ' CHD' ' A' ' 301' ' ' CYC . 0.5 OUTLIER -46.83 -26.14 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.415 -179.804 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.883 ' ND1' HG21 ' A' ' 135' ' ' VAL . 35.9 t-80 -87.48 -40.52 14.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.282 177.145 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.404 HG13 ' CG2' ' A' ' 106' ' ' VAL . 66.8 t -48.38 -47.21 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.531 178.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.518 ' CD2' ' OG ' ' A' ' 145' ' ' SER . 84.1 t60 -65.77 -39.35 90.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.347 178.438 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -46.9 -55.61 7.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.436 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 143' ' ' LEU . 94.0 mt -66.39 -50.38 63.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.415 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -56.87 -40.56 76.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.494 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' SER . . . . . 0.518 ' OG ' ' CD2' ' A' ' 141' ' ' HIS . 45.6 m -54.1 -27.35 32.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.495 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 47.5 mtt -89.68 2.75 54.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.395 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 66.53 22.41 71.44 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 179.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.539 HG12 ' O ' ' A' ' 150' ' ' SER . 3.2 t -107.51 119.23 56.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.678 0.275 . . . . 1.0 110.718 178.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -78.89 -34.64 44.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.274 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' SER . . . . . 0.539 ' O ' HG12 ' A' ' 148' ' ' VAL . 96.0 p -107.57 150.7 26.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.105 -177.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.4 t -146.94 104.21 3.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.928 0.394 . . . . 1.0 111.092 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 55.6 tp -97.28 132.43 43.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.993 -0.549 . . . . 1.0 109.985 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.524 HG22 ' HD3' ' A' ' 155' ' ' PRO . 8.5 p -128.44 151.4 35.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.035 0.445 . . . . 1.0 111.227 -179.392 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.426 ' O ' ' HB3' ' A' ' 166' ' ' LEU . 48.1 t -152.9 74.63 6.97 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.756 -0.657 . . . . 1.0 109.933 -178.032 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 155' ' ' PRO . . . . . 0.524 ' HD3' HG22 ' A' ' 153' ' ' VAL . 53.9 Cg_exo -48.7 157.67 1.43 Allowed 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.915 2.41 . . . . 1.0 112.703 -179.211 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 25.8 mt -117.19 101.05 8.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.199 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 35.3 mtp -106.31 125.35 50.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.776 -178.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' HIS . . . . . 0.425 ' HB3' ' CD1' ' A' ' 163' ' ' TRP . 12.0 t60 -106.78 122.53 46.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.386 177.186 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.442 ' CG ' ' N ' ' A' ' 160' ' ' GLN . 33.3 t-80 59.69 -104.44 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.376 -178.426 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 160' ' ' GLN . . . . . 0.442 ' N ' ' CG ' ' A' ' 159' ' ' HIS . 1.4 tt0 -121.48 1.85 10.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.451 -179.272 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 162' ' ' LEU . 32.5 tp10 -117.51 158.51 24.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.602 -176.182 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.433 ' N ' ' HG3' ' A' ' 161' ' ' GLU . 6.1 tt -103.44 122.5 45.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.472 177.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 163' ' ' TRP . . . . . 0.425 ' CD1' ' HB3' ' A' ' 158' ' ' HIS . 74.2 m95 -106.31 -40.9 5.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.888 -176.412 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -136.82 173.3 22.19 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.177 -0.769 . . . . 1.0 111.177 -177.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 165' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 54' ' ' TYR . 11.1 tp -145.41 118.56 8.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 1.0 110.386 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.426 ' HB3' ' O ' ' A' ' 154' ' ' VAL . 29.5 tp -96.58 140.19 31.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.516 178.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.576 HG11 ' OB ' ' A' ' 301' ' ' CYC . 7.3 p -146.21 141.21 21.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.672 -177.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.47 143.95 51.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.431 178.295 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 169' ' ' HIS . . . . . 0.629 ' ND1' ' N ' ' A' ' 169' ' ' HIS . 0.0 OUTLIER -146.82 140.47 25.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.76 -179.462 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 170' ' ' HIS . . . . . 0.603 ' CG ' ' N ' ' A' ' 171' ' ' ALA . 33.7 t60 -172.03 164.35 6.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.467 -179.569 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.603 ' N ' ' CG ' ' A' ' 170' ' ' HIS . . . -47.9 171.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.619 177.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -59.96 107.52 1.05 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.594 -178.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 173' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 171' ' ' ALA . 75.4 Cg_endo -93.13 -97.98 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.871 2.381 . . . . 1.0 112.045 178.675 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.543 ' NE ' ' O ' ' A' ' 175' ' ' PRO . 0.0 OUTLIER -154.84 157.53 32.02 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.517 179.365 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 175' ' ' PRO . . . . . 0.543 ' O ' ' NE ' ' A' ' 174' ' ' ARG . 54.5 Cg_exo -49.98 165.54 0.32 Allowed 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.839 2.359 . . . . 1.0 111.99 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -109.99 130.42 55.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.596 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 56.2 p -95.94 149.47 21.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.548 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -65.15 -36.34 83.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.55 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -64.37 -56.13 16.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.504 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.42 -32.41 74.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.47 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 26.2 tp -57.62 -40.39 79.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.341 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -63.58 -48.63 76.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.384 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 47.9 t -42.77 -53.5 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.146 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 184' ' ' VAL . . . . . 0.406 HG12 ' H ' ' A' ' 184' ' ' VAL . 4.8 p -74.36 -35.42 39.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.154 -178.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -48.04 -40.01 21.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.061 178.066 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 19.9 tp -73.34 -34.61 65.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.038 178.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 14.6 tp -56.03 -32.38 63.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.08 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -74.18 -39.44 63.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.113 178.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -56.19 -38.9 71.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.217 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -54.48 -54.43 41.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.188 178.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 86.5 t -55.99 -43.06 73.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.141 178.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 3.8 m -49.44 -33.74 14.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.179 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 71.7 mt -80.93 -32.65 12.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.118 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 194' ' ' ALA . . . . . 0.421 ' O ' ' HB2' ' A' ' 198' ' ' ALA . . . -70.69 -46.43 63.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.255 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 8.5 tp -65.03 -35.06 74.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.173 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.404 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.55 -56.64 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.365 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -58.04 -25.57 61.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.378 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 198' ' ' ALA . . . . . 0.421 ' HB2' ' O ' ' A' ' 194' ' ' ALA . . . -74.82 -36.76 62.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.382 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -52.78 -38.41 61.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.396 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 47.3 tp -58.29 -60.2 4.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.441 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 89.4 p -64.75 -48.39 74.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.496 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 8.9 tp . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.027 -0.987 . . . . 1.0 110.563 179.744 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 301' ' ' CYC . . . . . 0.817 HBB1 ' CD1' ' A' ' 54' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.629 HD12 ' N ' ' A' ' 31' ' ' LEU . 7.6 mp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.801 0.334 . . . . 1.0 110.547 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.429 ' OD1' HG11 ' A' ' 65' ' ' VAL . 84.2 m-20 -55.3 -32.98 62.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.579 -179.442 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -77.64 -54.39 6.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.49 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.682 HD13 ' O ' ' A' ' 34' ' ' ILE . 0.3 OUTLIER -59.94 -30.18 44.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.563 -177.892 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.497 ' O ' ' OG1' ' A' ' 38' ' ' THR . 83.2 mt -73.85 -33.35 64.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.646 -178.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -55.42 -36.91 66.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.546 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.86 -25.73 53.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.585 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 34' ' ' ILE . 68.9 p -73.69 -43.87 58.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.616 178.691 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.588 HG21 ' HB3' ' A' ' 66' ' ' ALA . 58.2 t -59.83 -40.9 83.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.676 179.162 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -71.29 -38.0 71.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.589 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -64.0 -44.18 93.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.514 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 38' ' ' THR . 91.7 t -65.31 -48.06 84.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.486 -179.586 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.687 HH11 ' N ' ' A' ' 69' ' ' ARG . 43.7 ttp180 -47.32 -43.5 22.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.54 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.47 -36.27 77.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.537 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -76.76 -50.34 13.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.503 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.546 ' O ' ' N ' ' A' ' 48' ' ' THR . 32.0 mt -80.57 -2.78 47.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.624 179.258 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.57 22.29 0.05 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.929 -0.868 . . . . 1.0 110.929 177.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.546 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.2 m -73.54 138.23 44.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.814 0.34 . . . . 1.0 110.6 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.484 ' CG ' ' ND1' ' A' ' 170' ' ' HIS . 89.4 m-20 -52.72 -39.41 62.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.616 -177.383 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.534 ' NH1' ' OE2' ' A' ' 67' ' ' GLU . 51.8 ttm-85 -146.53 128.13 15.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.003 -177.051 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.0 p -145.52 140.76 22.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.906 -0.588 . . . . 1.0 109.849 177.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.403 ' NZ ' HAB2 ' A' ' 301' ' ' CYC . 20.6 pttm -146.28 164.66 31.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.001 0.429 . . . . 1.0 111.245 -177.019 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.5 p -105.99 137.42 36.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.687 -0.688 . . . . 1.0 109.88 178.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.499 ' HB2' HBB1 ' A' ' 301' ' ' CYC . 13.3 t80 -120.51 121.0 37.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.903 0.382 . . . . 1.0 111.236 -177.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.466 ' HG3' ' H ' ' A' ' 56' ' ' PHE . 4.8 tpt180 -95.32 163.53 13.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.002 -0.545 . . . . 1.0 109.865 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.466 ' H ' ' HG3' ' A' ' 55' ' ' ARG . 86.3 t80 -129.95 146.5 51.65 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.731 -0.388 . . . . 1.0 110.936 -178.562 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 9.2 t70 -117.14 133.11 23.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.29 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -43.47 -30.47 2.54 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.781 2.321 . . . . 1.0 112.071 178.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -72.48 -11.35 60.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.436 -178.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 100.43 16.21 27.71 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.753 -0.939 . . . . 1.0 110.753 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.478 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 80.0 m-70 -112.93 138.6 49.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.839 0.352 . . . . 1.0 110.721 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.404 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -132.57 154.15 20.95 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.656 -0.978 . . . . 1.0 110.656 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 82.8 p -138.91 159.14 42.84 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.947 -0.301 . . . . 1.0 110.783 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.578 HG23 ' H ' ' A' ' 79' ' ' GLY . 0.2 OUTLIER -100.73 110.93 28.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.17 175.789 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.429 HG11 ' OD1' ' A' ' 32' ' ' ASP . 23.9 m -95.18 3.28 9.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.798 -176.117 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.588 ' HB3' HG21 ' A' ' 39' ' ' VAL . . . -163.81 153.17 14.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.878 0.37 . . . . 1.0 110.952 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.534 ' OE2' ' NH1' ' A' ' 50' ' ' ARG . 58.9 tt0 -164.49 123.09 1.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.306 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -122.07 141.73 51.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.813 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.687 ' N ' HH11 ' A' ' 43' ' ' ARG . 0.0 OUTLIER -133.3 143.17 48.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.064 -0.517 . . . . 1.0 110.459 179.281 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -95.06 -81.45 1.55 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.884 -0.886 . . . . 1.0 110.884 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.23 0.1 81.1 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.802 -0.919 . . . . 1.0 110.802 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 55.86 56.7 5.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.8 0.333 . . . . 1.0 110.537 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.477 ' NH2' ' C ' ' A' ' 170' ' ' HIS . 18.0 ttp180 -79.25 -57.23 3.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.559 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.436 ' HB2' ' HE ' ' A' ' 50' ' ' ARG . 12.0 mt -90.78 167.19 16.85 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.497 178.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -79.0 171.28 16.66 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.761 2.307 . . . . 1.0 112.132 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.5 p -88.81 132.15 34.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.731 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.9 mt -108.15 -10.86 15.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.481 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.8 tp -41.94 136.7 2.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.534 -177.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.578 ' H ' HG23 ' A' ' 64' ' ' VAL . . . 92.03 -0.73 72.98 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 179.467 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.6 HD22 ' CZ ' ' A' ' 82' ' ' PHE . 4.5 tt -95.89 130.11 42.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 1.0 110.563 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.501 ' O ' HG23 ' A' ' 81' ' ' THR . 10.0 t -95.96 124.8 40.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.588 178.282 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.6 ' CZ ' HD22 ' A' ' 80' ' ' LEU . 16.4 m-85 -98.83 141.82 23.55 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.544 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.13 139.38 18.96 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.812 2.341 . . . . 1.0 112.222 177.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.05 -32.94 64.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.672 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.94 -23.22 3.47 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.439 ' O ' ' ND ' ' A' ' 301' ' ' CYC . 86.5 m-20 -56.08 -32.7 64.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.806 0.336 . . . . 1.0 110.541 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 7.9 mt -133.39 97.75 15.87 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.474 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.509 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 94.0 Cg_exo -39.74 -92.44 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.776 2.317 . . . . 1.0 112.169 -179.641 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.509 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 79.3 tt0 -174.61 -28.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.541 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 93' ' ' ARG . 16.2 pt-20 -64.08 -38.47 91.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.544 -178.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.615 ' HB2' HBD2 ' A' ' 301' ' ' CYC . . . -64.7 -33.51 76.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.568 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.479 HH21 HH22 ' A' ' 93' ' ' ARG . 61.5 ttp180 -69.87 -23.63 63.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.531 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.479 HH22 HH21 ' A' ' 92' ' ' ARG . 13.8 mmp_? -57.78 -56.83 16.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.454 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.645 ' O ' ' N ' ' A' ' 98' ' ' ALA . 9.4 mt -50.53 -41.27 53.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.503 179.195 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -63.07 -25.26 68.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.764 178.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.534 ' C ' HD12 ' A' ' 97' ' ' LEU . 58.0 mtp180 -90.24 -28.94 18.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.593 -178.514 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.534 HD12 ' C ' ' A' ' 96' ' ' ARG . 11.0 mp -106.76 -44.77 4.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.231 -177.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.645 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -87.43 -27.37 22.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.466 -176.662 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.467 ' C ' ' O ' ' A' ' 98' ' ' ALA . 89.2 mt-30 35.25 61.23 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.362 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.626 HG13 ' N ' ' A' ' 101' ' ' ARG . 8.7 p -115.42 -49.05 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.837 177.128 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.626 ' N ' HG13 ' A' ' 100' ' ' VAL . 0.1 OUTLIER 56.95 66.37 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.307 173.744 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.593 ' C ' HD12 ' A' ' 103' ' ' ILE . 67.2 t -144.51 124.39 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.575 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.753 HD12 ' N ' ' A' ' 103' ' ' ILE . 2.5 mp -109.52 131.73 59.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.727 178.601 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.444 HG22 ' H ' ' A' ' 104' ' ' VAL . 0.2 OUTLIER -84.72 172.5 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.257 -177.941 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 105' ' ' ASP . 0.5 OUTLIER -51.82 120.36 5.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.466 -178.329 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.8 m -58.05 -8.2 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.558 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -81.27 -31.74 33.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.335 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.22 -13.11 4.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.381 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 49.88 57.67 6.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.719 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.6 t -94.12 138.8 31.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.38 175.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -122.41 135.97 54.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.869 -176.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.417 ' O ' ' CG ' ' A' ' 136' ' ' ASP . 0.7 OUTLIER -143.77 119.17 10.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.207 177.463 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.697 ' CG1' ' H ' ' A' ' 114' ' ' SER . 1.1 tt -122.63 -163.69 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.721 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.697 ' H ' ' CG1' ' A' ' 113' ' ' ILE . 29.3 t -76.41 173.8 11.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.713 -179.377 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -169.9 149.63 3.51 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.432 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -36.68 99.68 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.851 2.367 . . . . 1.0 112.185 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 118' ' ' SER . 42.4 tp10 -169.93 -36.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.62 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 117' ' ' GLU . 73.5 m 47.17 -174.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.653 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 55.3 p-90 -63.7 129.18 39.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.624 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 155.38 -127.5 2.07 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.898 -0.881 . . . . 1.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 7.1 tp 45.52 50.34 10.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.823 0.344 . . . . 1.0 110.579 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 35.6 p -83.04 4.81 24.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.59 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.07 -38.76 71.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.568 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 65.63 52.33 1.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.568 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.533 ' O ' HG13 ' A' ' 125' ' ' VAL . 7.3 p -69.19 117.07 48.57 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.623 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -46.16 129.87 13.2 Favored 'Trans proline' 0 C--N 1.304 -1.814 0 C-N-CA 122.865 2.377 . . . . 1.0 112.091 179.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.434 ' HG ' ' H ' ' A' ' 129' ' ' GLU . 6.3 tp 40.33 -120.89 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.585 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 77.63 13.19 83.75 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.536 ' OE1' ' NH2' ' A' ' 133' ' ' ARG . 50.3 mm-40 -129.99 155.13 81.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 1.0 110.613 -179.436 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.435 ' HG2' HH21 ' A' ' 133' ' ' ARG . 10.4 Cg_endo -51.36 164.46 0.8 Allowed 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.915 2.41 . . . . 1.0 112.11 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 41.3 mt -72.65 -1.43 16.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.442 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -132.03 167.74 19.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.521 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.536 ' NH2' ' OE1' ' A' ' 129' ' ' GLU . 1.8 mmp_? -130.36 84.58 59.18 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.633 -178.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -50.02 146.39 17.2 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.76 2.307 . . . . 1.0 111.937 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 16.7 t -128.62 135.59 62.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.515 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.417 ' CG ' ' O ' ' A' ' 112' ' ' SER . 21.2 m-20 -44.13 155.86 0.33 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.405 -179.478 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.403 ' O ' ' HB ' ' A' ' 140' ' ' VAL . 52.8 Cg_exo -51.48 -11.21 0.63 Allowed 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.828 2.352 . . . . 1.0 111.915 178.559 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' CYS . . . . . 0.466 ' SG ' ' CHD' ' A' ' 301' ' ' CYC . 0.0 OUTLIER -56.27 -44.65 79.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.419 179.517 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.596 ' CD2' HD22 ' A' ' 143' ' ' LEU . 0.9 OUTLIER -83.51 -23.6 32.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.296 -177.741 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 141' ' ' HIS . 4.8 t -50.18 -64.36 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.496 -179.425 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.415 ' N ' HG12 ' A' ' 140' ' ' VAL . 38.9 m-70 -63.76 -42.66 97.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.454 178.445 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -49.95 -55.32 14.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.452 178.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' LEU . . . . . 0.596 HD22 ' CD2' ' A' ' 139' ' ' HIS . 8.9 mp -64.88 -53.55 44.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.395 179.432 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -55.15 -41.33 71.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.465 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.8 t -54.02 -26.25 25.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.516 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 34.9 mtt -92.22 -1.88 56.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.442 177.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 69.7 24.34 76.33 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.871 -0.892 . . . . 1.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 148' ' ' VAL . 2.9 m -112.22 120.18 61.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 1.0 110.62 179.57 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -91.45 -12.58 34.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.272 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 39.1 t -113.17 144.81 42.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.105 -179.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.17 97.22 2.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 1.0 111.076 178.357 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 56.7 tp -98.96 134.25 42.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.034 -0.53 . . . . 1.0 109.99 178.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' VAL . . . . . 0.623 HG13 ' HB3' ' A' ' 101' ' ' ARG . 1.3 p -128.71 151.41 35.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.092 0.473 . . . . 1.0 111.211 -177.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 154' ' ' VAL . . . . . 0.412 ' CG2' ' C ' ' A' ' 153' ' ' VAL . 1.5 t -150.74 100.04 3.11 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.688 -0.687 . . . . 1.0 109.999 -179.241 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.23 151.08 33.77 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.966 2.444 . . . . 1.0 112.675 -173.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 34.1 mt -118.28 95.36 4.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.181 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.422 ' O ' ' OG ' ' A' ' 192' ' ' SER . 21.5 ptm -111.81 135.31 52.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.723 -177.748 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 158' ' ' HIS . . . . . 0.475 ' O ' ' HB3' ' A' ' 159' ' ' HIS . 38.9 t60 -116.13 121.5 42.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.419 177.282 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 159' ' ' HIS . . . . . 0.486 ' CG ' ' OE1' ' A' ' 160' ' ' GLN . 15.4 t-80 77.2 -113.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.406 -177.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 160' ' ' GLN . . . . . 0.486 ' OE1' ' CG ' ' A' ' 159' ' ' HIS . 9.0 mp0 -121.58 6.63 10.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.396 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.509 ' N ' ' OE1' ' A' ' 161' ' ' GLU . 37.7 mp0 -117.77 161.55 19.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.526 -176.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 162' ' ' LEU . . . . . 0.535 HD12 ' N ' ' A' ' 162' ' ' LEU . 6.4 mp -106.58 126.01 51.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.442 177.234 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 163' ' ' TRP . . . . . 0.422 ' HE1' ' HB3' ' A' ' 158' ' ' HIS . 84.1 m95 -104.0 -40.13 6.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.919 -176.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -141.77 175.61 22.44 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.279 -0.728 . . . . 1.0 111.279 -177.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 5.2 tp -148.96 141.19 24.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.787 0.327 . . . . 1.0 110.381 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 166' ' ' LEU . . . . . 0.466 ' O ' HG23 ' A' ' 153' ' ' VAL . 8.2 tp -112.44 147.59 36.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.652 178.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 167' ' ' VAL . . . . . 0.679 HG11 ' OB ' ' A' ' 301' ' ' CYC . 69.2 t -151.89 136.6 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.722 -179.206 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.4 143.27 49.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.377 179.353 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -130.14 137.4 50.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.748 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 170' ' ' HIS . . . . . 0.742 ' CD2' ' N ' ' A' ' 171' ' ' ALA . 49.1 t60 -169.91 172.41 6.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.475 -178.476 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.742 ' N ' ' CD2' ' A' ' 170' ' ' HIS . . . -50.19 -157.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.544 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -44.94 144.71 1.84 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.644 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -84.79 -179.05 3.51 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.84 2.36 . . . . 1.0 112.047 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 71.5 mtt85 -150.55 148.69 24.37 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.44 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.27 139.15 76.03 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.739 2.293 . . . . 1.0 112.047 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -105.48 123.15 47.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.646 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 50.5 m -65.18 146.15 55.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.533 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -63.36 -34.95 78.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.457 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -68.01 -41.87 81.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.516 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -78.78 -28.46 44.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.437 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 21.5 tp -60.28 -50.18 74.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.36 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 182' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 183' ' ' VAL . 13.5 pt20 -60.92 -44.96 96.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.435 -179.033 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 183' ' ' VAL . . . . . 0.422 ' N ' ' HG3' ' A' ' 182' ' ' GLN . 53.4 t -44.44 -55.25 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.173 -179.284 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 23.7 m -74.49 -34.91 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.199 -178.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -47.23 -40.13 15.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.025 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 79.5 mt -73.68 -34.08 64.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.047 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 6.6 tt -56.62 -33.97 66.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.033 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -73.79 -37.83 64.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.138 178.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -59.91 -38.38 82.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.184 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -55.19 -55.06 35.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.199 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 38.9 t -55.15 -44.88 76.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.136 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 192' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 157' ' ' MET . 8.4 t -49.63 -34.1 17.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.076 179.296 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 70.4 mt -81.71 -31.76 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.126 178.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -68.53 -45.83 71.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.221 -179.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 2.3 pp -68.42 -27.39 36.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.196 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.434 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -76.19 -57.59 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.357 178.53 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -57.49 -24.88 58.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.4 179.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -75.11 -35.57 61.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.445 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -54.84 -39.33 68.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.467 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 46.5 tp -59.76 -61.31 2.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.498 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 83.6 p -60.33 -45.69 92.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.503 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 202' ' ' LEU . . . . . 0.421 HD22 HD13 ' A' ' 31' ' ' LEU . 12.8 tp . . . . . 0 C--O 1.221 -0.411 0 CA-C-O 117.946 -1.026 . . . . 1.0 110.496 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 301' ' ' CYC . . . . . 0.679 ' OB ' HG11 ' A' ' 167' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 tt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.838 0.352 . . . . 1.0 110.533 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 33' ' ' GLN . 33.1 p-10 -57.48 -38.75 75.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.525 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.486 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 96.2 mt-30 -70.47 -53.18 17.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.494 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.602 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.7 mp -50.62 -49.2 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.629 -178.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.572 HD21 HG22 ' A' ' 195' ' ' ILE . 89.7 mt -58.19 -31.27 67.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.597 -177.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.598 ' O ' HG12 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -51.75 -39.05 57.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.6 179.516 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.29 -24.21 37.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.619 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 42.2 p -72.86 -46.26 53.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.618 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 36' ' ' ARG . 3.8 p -52.62 -40.41 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.706 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.48 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 10.6 pt-20 -79.32 -34.19 42.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.622 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -62.51 -53.67 51.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.541 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.7 t -61.02 -44.51 98.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.488 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.5 ttm180 -46.76 -41.75 15.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.474 179.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.23 -40.62 94.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.531 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -72.94 -52.45 14.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.546 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.583 ' O ' ' N ' ' A' ' 48' ' ' THR . 20.3 mt -78.75 -0.65 31.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.505 179.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.4 20.62 0.03 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.929 -0.869 . . . . 1.0 110.929 178.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.583 ' N ' ' O ' ' A' ' 46' ' ' LEU . 2.6 m -73.93 138.43 44.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.361 . . . . 1.0 110.57 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.575 ' O ' ' N ' ' A' ' 70' ' ' GLY . 2.7 p-10 -64.34 -32.24 73.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.6 -176.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.646 HH12 ' NZ ' ' A' ' 52' ' ' LYS . 66.2 ttp85 -138.53 123.7 19.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.967 0.413 . . . . 1.0 111.013 -176.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.491 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 3.1 t -143.91 133.71 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.876 -0.602 . . . . 1.0 109.855 176.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.646 ' NZ ' HH12 ' A' ' 50' ' ' ARG . 23.8 pttm -141.55 155.12 45.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.975 0.417 . . . . 1.0 111.261 -178.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 79.4 t -103.8 139.06 25.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.75 -0.659 . . . . 1.0 109.891 178.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -122.75 118.89 29.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.934 0.397 . . . . 1.0 111.172 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -95.42 163.29 13.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.971 -0.559 . . . . 1.0 109.959 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.526 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 89.6 t80 -129.56 147.25 51.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.978 0.418 . . . . 1.0 110.842 -177.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.536 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -117.61 148.85 43.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.355 179.522 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.73 -27.52 85.13 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.744 2.296 . . . . 1.0 112.051 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -74.57 -8.38 56.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.43 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.08 21.94 21.55 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.79 -0.924 . . . . 1.0 110.79 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 75.5 m80 -116.26 138.88 50.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.877 0.37 . . . . 1.0 110.736 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.571 ' O ' HG23 ' A' ' 81' ' ' THR . . . -129.39 149.85 18.75 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.629 -0.989 . . . . 1.0 110.629 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.4 p -132.91 153.9 50.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 1.0 110.738 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.8 t -95.95 113.97 31.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.167 176.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.447 HG21 HD12 ' A' ' 35' ' ' LEU . 11.2 m -100.95 2.79 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.849 -177.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.401 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -163.16 150.38 12.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.908 0.385 . . . . 1.0 110.911 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 87.9 tt0 -168.18 128.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.269 -179.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.481 ' O ' ' HA ' ' A' ' 50' ' ' ARG . . . -119.62 152.3 37.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.841 177.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 75.3 mtm180 -133.85 141.59 47.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.467 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -92.9 -103.23 1.56 Allowed Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.801 -0.92 . . . . 1.0 110.801 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.93 16.36 1.54 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.79 -0.924 . . . . 1.0 110.79 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.499 ' H ' ' C ' ' A' ' 70' ' ' GLY . 47.3 mp0 50.88 53.93 12.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.782 0.325 . . . . 1.0 110.562 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.643 ' NH1' ' N ' ' A' ' 171' ' ' ALA . 8.3 ptm180 -85.75 -15.27 42.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.532 177.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.3 mt -132.33 152.79 80.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.484 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -72.5 169.15 22.47 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.807 2.338 . . . . 1.0 112.114 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.3 p -84.35 117.52 23.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.648 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.489 ' H ' ' CD ' ' A' ' 67' ' ' GLU . 54.0 mt -92.33 -12.98 30.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.434 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.53 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 12.9 tp -47.45 138.14 7.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.513 -178.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.98 -0.64 73.04 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 87.6 mt -98.29 132.37 43.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.768 0.318 . . . . 1.0 110.54 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 62' ' ' GLY . 17.3 m -94.71 123.26 38.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.571 177.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -92.98 138.03 23.51 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.55 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.405 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 73.5 Cg_endo -76.75 140.64 21.02 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.873 2.382 . . . . 1.0 112.144 179.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.29 -34.62 72.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.68 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.33 -24.81 3.88 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' A' ' 87' ' ' ILE . 54.3 p30 -53.9 -24.0 14.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 1.0 110.613 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.546 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 27.6 mt -141.99 131.75 12.49 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.552 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.07 -93.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.836 2.357 . . . . 1.0 112.173 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 19.7 pt-20 -166.69 -48.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.552 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.432 ' N ' ' CG ' ' A' ' 89' ' ' GLU . 18.8 pt-20 -47.35 -39.28 14.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.578 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.23 -43.34 78.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.599 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 95' ' ' PHE . 75.7 ttt-85 -63.08 -27.25 69.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.608 -178.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -55.09 -47.45 74.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.511 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.732 ' H ' HD12 ' A' ' 94' ' ' LEU . 7.0 mp -53.87 -37.02 63.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.523 179.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.665 ' HD1' ' H ' ' A' ' 95' ' ' PHE . 2.2 m-85 -61.06 -19.73 61.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.74 178.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.569 ' C ' HD12 ' A' ' 97' ' ' LEU . 46.9 mtp85 -94.57 -33.26 13.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.739 -178.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.608 HD12 ' N ' ' A' ' 97' ' ' LEU . 10.3 mp -106.4 -39.83 5.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.258 -177.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.622 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -81.29 -33.01 32.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.417 -176.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.595 ' NE2' ' SD ' ' A' ' 157' ' ' MET . 33.0 mm-40 31.73 57.27 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.31 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.629 HG13 ' N ' ' A' ' 101' ' ' ARG . 8.6 p -146.24 -49.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.807 177.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.641 ' NE ' ' CZ ' ' A' ' 95' ' ' PHE . 16.7 mmm180 45.82 98.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.275 174.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 102' ' ' VAL . 10.5 p -142.32 129.41 19.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.596 177.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 12.4 mt -110.57 130.92 63.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.714 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.699 HG12 ' N ' ' A' ' 105' ' ' ASP . 47.5 t -85.33 171.53 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.344 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.699 ' N ' HG12 ' A' ' 104' ' ' VAL . 30.6 t0 -49.02 118.92 2.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.49 -178.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.8 m -56.5 -8.83 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.604 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -76.52 -33.25 58.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.282 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.57 -13.78 10.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.311 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 49.48 62.93 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.719 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.7 p -85.66 139.47 31.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.325 175.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 76.4 mtp85 -122.53 129.68 52.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.85 -177.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.25 178.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . 0.403 ' NE2' ' CG2' ' A' ' 104' ' ' VAL . 6.0 mm100 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.776 0.322 . . . . 1.0 110.473 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -123.36 82.16 52.72 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.619 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -51.22 142.87 34.94 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.738 2.292 . . . . 1.0 112.032 178.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.421 ' HB ' ' CD2' ' A' ' 139' ' ' HIS . 8.4 t -129.36 137.66 56.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.511 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -45.01 158.7 0.28 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.47 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.29 -10.67 1.38 Allowed 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.794 2.329 . . . . 1.0 111.939 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.29 -43.21 82.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.373 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.607 ' CD2' ' N ' ' A' ' 140' ' ' VAL . 0.1 OUTLIER -82.23 -27.86 32.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.234 -178.096 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.607 ' N ' ' CD2' ' A' ' 139' ' ' HIS . 9.8 t -48.31 -64.87 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.551 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 145' ' ' SER . 84.2 t60 -62.97 -40.93 99.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.462 178.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -49.65 -58.61 4.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.486 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.403 ' O ' HG22 ' A' ' 148' ' ' VAL . 10.3 mp -63.1 -54.5 36.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.373 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.44 -41.41 66.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.473 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 141' ' ' HIS . 40.0 t -54.76 -28.49 49.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.41 178.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 40.5 mtt -88.22 -2.83 58.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.469 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . 0.547 ' O ' ' NH2' ' A' ' 73' ' ' ARG . . . 70.22 23.4 77.32 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.881 -0.888 . . . . 1.0 110.881 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 148' ' ' VAL . 9.0 m -107.82 114.28 45.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.789 0.328 . . . . 1.0 110.654 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -77.02 -31.97 56.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.269 -178.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 95.9 p -109.48 152.21 25.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.903 -0.589 . . . . 1.0 110.101 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 4.2 t -149.93 104.71 3.32 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.719 -0.392 . . . . 1.0 111.082 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 62.6 tp -100.84 116.36 32.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.009 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.475 ' CG2' ' N ' ' A' ' 154' ' ' VAL . 1.3 p -118.17 155.09 20.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.051 0.453 . . . . 1.0 111.183 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.475 ' N ' ' CG2' ' A' ' 153' ' ' VAL . 1.4 t -151.81 121.78 3.54 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.677 -0.692 . . . . 1.0 109.912 -177.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' PRO . . . . . 0.404 ' HA ' HD12 ' A' ' 165' ' ' LEU . 89.0 Cg_endo -79.8 144.6 17.38 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.924 2.416 . . . . 1.0 112.706 -176.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 46.3 mt -115.66 95.43 5.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.218 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.595 ' SD ' ' NE2' ' A' ' 99' ' ' GLN . 18.5 ptm -113.65 136.54 52.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.8 -178.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . 0.583 ' ND1' ' CD2' ' A' ' 159' ' ' HIS . 4.8 t-80 -115.7 124.05 49.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.389 177.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.583 ' CD2' ' ND1' ' A' ' 158' ' ' HIS . 68.7 m-70 67.51 -109.61 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.329 -177.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -121.72 4.43 10.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.422 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -117.02 161.18 19.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.575 -177.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.401 ' HB3' HH21 ' A' ' 92' ' ' ARG . 9.0 tp -105.36 123.21 47.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.469 177.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -102.61 -43.64 5.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.882 -176.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -142.85 176.99 22.15 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.258 -0.737 . . . . 1.0 111.258 -177.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 155' ' ' PRO . 4.8 tp -145.45 129.34 17.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.687 0.279 . . . . 1.0 110.425 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 38.6 tp -101.0 140.86 34.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.621 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 8.6 p -147.49 148.65 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.793 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.18 144.42 44.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.381 179.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' HIS . . . . . 0.502 ' HB3' HG11 ' A' ' 148' ' ' VAL . 95.7 m-70 -143.34 142.4 31.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.786 178.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . 0.725 ' CD2' ' H ' ' A' ' 171' ' ' ALA . 17.6 t-80 -172.48 167.82 5.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.475 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.725 ' H ' ' CD2' ' A' ' 170' ' ' HIS . . . -61.95 179.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.63 177.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -46.99 97.84 0.16 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.591 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . 0.472 ' CD ' ' O ' ' A' ' 171' ' ' ALA . 91.6 Cg_endo -97.27 32.89 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.87 2.38 . . . . 1.0 112.09 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 173' ' ' PRO . 71.6 mtt180 57.44 155.78 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.578 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -53.73 160.53 5.46 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.809 2.34 . . . . 1.0 112.056 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -114.13 139.5 49.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.634 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 23.0 t -89.67 142.07 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.601 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -63.72 -37.09 86.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.558 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -59.99 -49.7 76.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.448 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.06 -32.54 72.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.418 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 26.9 tp -57.89 -42.33 84.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.396 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -58.58 -52.57 65.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.364 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 59.7 t -42.25 -45.63 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.158 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 91.0 t -74.88 -36.96 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.092 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -47.72 -40.52 20.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.062 178.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . 0.492 HD12 ' N ' ' A' ' 186' ' ' LEU . 11.2 mp -73.2 -34.78 66.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.035 177.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 23.6 tp -57.19 -32.78 66.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.065 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . 0.425 ' O ' ' CG2' ' A' ' 191' ' ' VAL . . . -74.54 -28.18 60.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.105 178.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . 0.425 ' O ' ' OG ' ' A' ' 192' ' ' SER . 74.9 m-20 -71.64 -41.2 69.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.149 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -54.22 -58.0 9.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.153 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' A' ' 188' ' ' ALA . 14.0 m -52.73 -42.04 40.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.099 179.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 189' ' ' ASP . 3.1 p -47.14 -29.45 2.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.053 -0.522 . . . . 1.0 110.108 178.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 12.6 mm -79.5 -38.8 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.159 178.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.37 -47.92 71.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.255 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . 0.572 HG22 HD21 ' A' ' 35' ' ' LEU . 8.8 pt -65.51 -36.53 77.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.346 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . 0.451 ' HB2' ' CD2' ' A' ' 158' ' ' HIS . . . -68.44 -51.97 37.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.31 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -61.38 -24.08 66.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.377 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -74.21 -36.51 63.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.397 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -56.74 -40.6 76.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.413 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 10.5 tp -61.83 -59.77 4.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.513 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 20.8 t -61.42 -47.04 87.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.511 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.534 HD23 ' C ' ' A' ' 202' ' ' LEU . 2.7 tt . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.035 -0.983 . . . . 1.0 110.558 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.709 0.29 . . . . 1.0 110.538 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.1 p-10 -59.26 -34.27 72.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.615 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -76.57 -54.81 6.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.542 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.722 HD13 ' O ' ' A' ' 34' ' ' ILE . 0.3 OUTLIER -61.01 -31.31 49.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.575 -178.824 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.596 ' O ' HG22 ' A' ' 38' ' ' THR . 86.5 mt -78.2 -20.71 51.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.661 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 52.2 ttm-85 -70.96 -31.58 68.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.637 178.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.8 -27.3 26.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.618 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.596 HG22 ' O ' ' A' ' 35' ' ' LEU . 2.5 t -77.94 -42.52 32.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.642 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.521 ' N ' ' CG2' ' A' ' 38' ' ' THR . 11.5 p -57.77 -39.76 72.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.661 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.477 ' N ' HG13 ' A' ' 39' ' ' VAL . 25.6 pt-20 -77.27 -33.17 55.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.612 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.47 -44.74 90.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.512 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.5 t -63.82 -48.69 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.476 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.576 ' O ' ' N ' ' A' ' 47' ' ' GLY . 41.6 ttp180 -47.46 -41.35 20.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.481 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.09 -37.78 83.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.516 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -75.66 -51.22 13.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.547 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.63 ' N ' HD12 ' A' ' 46' ' ' LEU . 8.3 mp -80.23 -2.9 46.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.508 179.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 41.92 21.37 0.07 OUTLIER Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.997 -0.841 . . . . 1.0 110.997 178.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.643 ' HG1' ' CE1' ' A' ' 170' ' ' HIS . 1.2 m -73.51 138.44 45.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.78 0.324 . . . . 1.0 110.622 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.11 -40.33 64.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.573 -177.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.468 ' H ' HG22 ' A' ' 48' ' ' THR . 52.8 ttp180 -144.78 127.44 16.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.981 0.42 . . . . 1.0 111.011 -176.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.0 p -144.32 137.68 23.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.823 -0.626 . . . . 1.0 109.862 176.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.412 ' HG2' ' HZ3' ' A' ' 52' ' ' LYS . 23.8 pttm -143.67 166.1 25.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.146 0.498 . . . . 1.0 111.285 -177.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.764 HG12 ' HB3' ' A' ' 66' ' ' ALA . 9.8 p -109.51 139.24 33.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.681 -0.691 . . . . 1.0 109.81 178.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -121.34 120.62 35.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.868 0.366 . . . . 1.0 111.198 -178.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -94.44 164.6 12.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.009 -0.541 . . . . 1.0 109.936 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -130.56 144.93 51.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.901 0.381 . . . . 1.0 110.911 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.421 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 14.7 t70 -116.62 135.76 23.01 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.373 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -44.68 -29.42 3.43 Favored 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.764 2.309 . . . . 1.0 112.082 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -73.94 -8.83 57.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.383 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' A' ' 84' ' ' ALA . . . 101.59 -11.14 57.93 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.781 -0.928 . . . . 1.0 110.781 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.421 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 99.7 m-70 -85.49 140.76 30.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.911 0.386 . . . . 1.0 110.704 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -132.59 154.55 21.14 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.608 -0.997 . . . . 1.0 110.608 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.457 HG22 HG22 ' A' ' 81' ' ' THR . 73.3 p -137.35 157.59 46.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.802 0.334 . . . . 1.0 110.786 -178.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.8 t -101.02 115.5 42.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.144 176.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.9 m -102.75 4.0 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.806 -175.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.764 ' HB3' HG12 ' A' ' 53' ' ' VAL . . . -159.12 148.47 18.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.925 0.393 . . . . 1.0 110.86 -179.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -166.76 124.94 1.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.298 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -124.85 133.04 53.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.805 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.558 ' O ' ' NH1' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -118.46 142.1 47.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.533 -179.695 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.485 ' C ' ' H ' ' A' ' 72' ' ' GLU . . . -93.22 -104.7 1.67 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.86 -0.896 . . . . 1.0 110.86 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.64 0.48 1.53 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.767 -0.933 . . . . 1.0 110.767 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.485 ' H ' ' C ' ' A' ' 70' ' ' GLY . 71.9 tt0 60.54 58.01 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.85 0.357 . . . . 1.0 110.621 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -83.03 -56.75 3.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.554 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 27.2 mt -92.95 165.39 18.77 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.552 178.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -78.48 172.01 15.93 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.831 2.354 . . . . 1.0 112.131 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.488 ' OG ' ' NH2' ' A' ' 69' ' ' ARG . 22.9 t -89.47 129.3 35.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.7 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 34.4 mt -104.49 -11.19 17.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.444 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.2 tp -42.31 137.28 2.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.582 -178.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.41 0.01 73.94 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 80' ' ' LEU . 26.8 tp -93.84 127.83 39.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.725 0.298 . . . . 1.0 110.54 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.457 HG22 HG22 ' A' ' 63' ' ' THR . 5.7 p -98.27 131.04 44.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.636 178.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 23.2 m-85 -102.61 141.37 22.37 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.478 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -78.07 144.68 21.4 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.848 2.365 . . . . 1.0 112.172 178.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 60' ' ' GLY . . . -55.49 -36.16 66.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.73 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.5 -24.48 5.52 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' A' ' 87' ' ' ILE . 50.3 p-10 -55.41 -27.2 46.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.321 . . . . 1.0 110.551 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.576 ' O ' ' O ' ' A' ' 88' ' ' PRO . 93.9 mt -124.55 98.38 37.73 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.537 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.576 ' O ' ' O ' ' A' ' 87' ' ' ILE . 86.7 Cg_exo -44.69 -116.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.836 2.358 . . . . 1.0 112.165 -179.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.441 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 84.2 tt0 -151.87 -59.46 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.523 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -48.6 -39.82 25.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.513 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.421 ' O ' ' CD1' ' A' ' 95' ' ' PHE . . . -65.84 -35.26 80.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.544 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -73.3 -24.74 60.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.485 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -58.57 -56.56 20.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.429 -178.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.698 ' O ' ' N ' ' A' ' 98' ' ' ALA . 43.8 mt -55.58 -40.33 71.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.537 -179.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.421 ' CD1' ' O ' ' A' ' 91' ' ' ALA . 4.6 m-85 -55.75 -50.15 71.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.781 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.563 ' C ' HD12 ' A' ' 97' ' ' LEU . 16.6 mmm180 -54.27 -21.85 10.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.745 176.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.563 HD12 ' C ' ' A' ' 96' ' ' ARG . 10.2 mp -107.87 -26.98 10.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.233 -178.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.698 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -91.46 -37.09 13.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.042 -0.527 . . . . 1.0 110.439 -176.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 98' ' ' ALA . 83.8 mt-30 36.63 61.43 0.84 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.41 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.416 HG13 ' O ' ' A' ' 98' ' ' ALA . 2.3 m -143.15 -42.86 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.84 177.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.635 ' NH1' HD11 ' A' ' 165' ' ' LEU . 32.5 mtt180 49.0 92.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.222 175.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 47.4 t -144.43 126.33 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.616 178.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 9.6 mt -108.37 128.98 63.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.721 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.68 HG22 ' N ' ' A' ' 105' ' ' ASP . 14.9 p -83.14 169.99 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.253 -179.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.68 ' N ' HG22 ' A' ' 104' ' ' VAL . 61.8 m-20 -51.52 121.18 5.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.452 -178.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.9 m -57.97 -10.15 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.562 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -75.85 -35.34 59.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.313 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.07 -14.56 17.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.377 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 50.66 61.96 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.731 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.9 p -85.63 136.44 33.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.432 174.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.3 ptt85 -118.91 129.4 55.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.832 -176.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.542 ' OG ' ' N ' ' A' ' 136' ' ' ASP . 64.1 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.217 177.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.801 0.334 . . . . 1.0 110.497 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.657 ' HE ' ' N ' ' A' ' 134' ' ' PRO . 0.0 OUTLIER -133.46 86.77 39.48 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.651 -178.857 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.657 ' N ' ' HE ' ' A' ' 133' ' ' ARG . 62.0 Cg_exo -48.95 142.11 20.44 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.777 2.318 . . . . 1.0 111.937 178.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.499 ' HB ' ' CD2' ' A' ' 139' ' ' HIS . 3.4 t -131.96 139.03 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.543 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.542 ' N ' ' OG ' ' A' ' 112' ' ' SER . 1.0 OUTLIER -44.58 152.33 0.53 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.435 -179.156 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_exo -46.99 -9.43 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.818 2.346 . . . . 1.0 111.947 178.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . 0.489 ' H ' ' C ' ' A' ' 136' ' ' ASP . 0.0 OUTLIER -58.68 -44.08 90.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.382 179.275 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.557 ' CD2' ' N ' ' A' ' 140' ' ' VAL . 0.1 OUTLIER -82.75 -24.6 33.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.257 -177.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.557 ' N ' ' CD2' ' A' ' 139' ' ' HIS . 10.1 t -50.52 -65.54 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.532 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 145' ' ' SER . 84.0 t60 -62.77 -42.08 99.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.492 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -48.92 -56.68 8.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.442 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.4 mp -64.32 -51.65 62.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.381 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.18 -40.96 78.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.454 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 141' ' ' HIS . 46.4 t -53.41 -29.73 36.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.465 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 23.0 mtt -89.42 -0.16 57.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.432 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 72.96 24.32 76.2 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 150' ' ' SER . 91.0 t -105.06 114.0 43.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.757 0.313 . . . . 1.0 110.707 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -79.03 -38.98 35.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.263 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.528 ' O ' ' CG1' ' A' ' 148' ' ' VAL . 86.6 p -123.17 157.3 33.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.097 -178.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 32.3 t -152.14 126.02 9.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.953 0.406 . . . . 1.0 111.06 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 66.1 tp -110.45 113.74 26.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.003 178.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.527 ' CG2' ' N ' ' A' ' 154' ' ' VAL . 1.0 OUTLIER -111.89 157.88 12.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.115 0.483 . . . . 1.0 111.245 -179.27 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.527 ' N ' ' CG2' ' A' ' 153' ' ' VAL . 86.9 t -155.02 119.66 2.55 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.687 -0.688 . . . . 1.0 109.975 -177.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' PRO . . . . . 0.454 ' HB3' ' NE ' ' A' ' 101' ' ' ARG . 78.9 Cg_endo -78.94 148.68 22.22 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.901 2.4 . . . . 1.0 112.69 -176.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 33.4 mt -118.35 95.47 4.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.246 177.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 17.6 ptm -107.56 135.06 49.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.679 -176.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . 0.532 ' CE1' ' CB ' ' A' ' 196' ' ' ALA . 10.2 t60 -113.98 121.78 44.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.395 176.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.486 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 48.0 t-80 73.51 -110.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.38 -177.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -122.41 -0.21 9.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.468 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -114.94 164.74 13.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.583 -177.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.606 HD12 ' N ' ' A' ' 162' ' ' LEU . 7.3 mp -104.81 123.17 47.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.438 178.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' TRP . . . . . 0.469 ' CE3' ' OE2' ' A' ' 199' ' ' GLU . 91.3 m95 -104.33 -41.7 5.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.887 -177.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -138.71 176.52 20.81 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.258 -0.737 . . . . 1.0 111.258 -177.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . 0.635 HD11 ' NH1' ' A' ' 101' ' ' ARG . 2.9 tp -148.8 130.03 14.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.76 0.314 . . . . 1.0 110.348 -179.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 32.8 tp -99.24 137.09 38.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.624 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 11.4 p -140.36 140.6 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.739 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 4.1 m -125.84 143.33 51.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.384 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' HIS . . . . . 0.401 ' HB3' HG21 ' A' ' 148' ' ' VAL . 78.1 m-70 -136.09 136.63 40.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.716 -178.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . 0.643 ' CE1' ' HG1' ' A' ' 48' ' ' THR . 1.1 p-80 -174.22 168.87 3.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.492 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 170' ' ' HIS . . . -55.32 -163.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.633 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -116.11 84.96 14.46 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.661 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -80.69 -62.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.848 2.365 . . . . 1.0 112.026 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -158.69 151.86 18.67 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.574 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -48.75 172.6 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.789 2.326 . . . . 1.0 112.07 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -108.5 116.34 31.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.643 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 18.3 t -67.45 140.05 57.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.552 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -63.8 -40.86 97.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.507 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.96 -62.89 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.427 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 39.5 mp0 -60.49 -31.24 70.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.395 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 27.6 tp -58.04 -36.31 72.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.393 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -67.12 -50.16 62.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.412 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 56.3 t -42.57 -51.83 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.131 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 26.7 m -73.59 -36.59 47.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.993 -0.548 . . . . 1.0 110.174 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -48.26 -39.19 20.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.095 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 21.6 tp -71.78 -34.92 69.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.071 178.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 14.9 tp -55.85 -31.52 62.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.034 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -73.92 -38.12 64.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.036 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -57.88 -41.74 83.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.197 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -52.93 -53.82 43.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.081 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 93.7 t -55.75 -42.45 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.097 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 3.1 m -50.3 -34.07 22.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.134 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.7 -35.5 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.103 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -67.99 -46.24 71.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.275 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 15.5 tt -65.4 -30.51 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.233 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . 0.532 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.5 -55.73 5.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.409 179.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -59.3 -25.22 63.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.337 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -73.66 -39.15 64.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.48 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . 0.469 ' OE2' ' CE3' ' A' ' 163' ' ' TRP . 84.9 mt-10 -51.36 -37.47 48.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.376 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . 0.611 ' N ' HD12 ' A' ' 200' ' ' LEU . 9.8 mp -57.15 -60.05 4.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.479 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 88.9 p -55.29 -43.26 74.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.534 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.522 ' N ' HD12 ' A' ' 202' ' ' LEU . 10.6 mp . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.958 -1.02 . . . . 1.0 110.591 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.1 tt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.849 0.357 . . . . 1.0 110.597 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.456 ' OD1' HG11 ' A' ' 65' ' ' VAL . 69.1 m-20 -62.58 -36.34 82.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.575 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -74.13 -53.83 9.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.53 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.9 mm -51.59 -54.12 13.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.591 -178.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 39' ' ' VAL . 29.4 mt -57.19 -32.56 66.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.612 -177.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.5 ttt-85 -50.13 -40.3 45.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.559 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.88 -27.16 43.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.599 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.6 p -71.31 -44.71 64.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.707 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.57 HG21 ' HB3' ' A' ' 66' ' ' ALA . 42.0 t -58.33 -38.25 68.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.653 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -70.67 -41.71 71.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.542 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.36 -41.34 93.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.452 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.6 t -66.34 -55.72 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.509 -178.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.594 ' O ' ' N ' ' A' ' 47' ' ' GLY . 5.0 ttp180 -48.73 -43.03 37.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.553 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.28 -33.31 67.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.555 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -78.72 -46.53 18.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.542 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.512 ' CB ' HG23 ' A' ' 48' ' ' THR . 71.8 mt -80.4 -9.45 59.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.519 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.594 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 51.42 25.47 12.88 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.951 -0.86 . . . . 1.0 110.951 177.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.626 ' OG1' HG23 ' A' ' 51' ' ' VAL . 43.4 p -76.31 136.51 39.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 1.0 110.581 178.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -55.87 -31.37 62.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.62 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.5 ' NH1' ' O ' ' A' ' 74' ' ' LEU . 2.3 ttm105 -148.09 125.69 11.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.936 0.398 . . . . 1.0 111.073 -177.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.626 HG23 ' OG1' ' A' ' 48' ' ' THR . 2.1 t -144.25 135.79 21.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.89 -0.595 . . . . 1.0 109.792 175.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -144.97 161.18 40.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.015 0.436 . . . . 1.0 111.242 -177.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.8 p -103.61 139.15 25.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.662 -0.699 . . . . 1.0 109.851 177.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.411 ' CZ ' ' HA3' ' A' ' 62' ' ' GLY . 21.5 t80 -123.78 121.26 34.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.876 0.37 . . . . 1.0 111.191 -177.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.0 ttt-85 -95.32 163.19 13.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.972 -0.558 . . . . 1.0 109.944 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.553 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 84.2 t80 -129.61 146.27 51.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.939 0.4 . . . . 1.0 110.873 -178.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.553 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 1.9 m-20 -116.42 162.57 25.85 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.299 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -72.67 -24.68 18.19 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.729 2.286 . . . . 1.0 112.065 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -77.58 -6.67 54.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.372 -178.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.25 20.25 30.73 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.862 -0.895 . . . . 1.0 110.862 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.421 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 76.4 m80 -116.81 141.41 48.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 1.0 110.707 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.411 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -135.64 157.43 23.26 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.624 -0.991 . . . . 1.0 110.624 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 67.8 p -140.26 159.35 42.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.832 0.349 . . . . 1.0 110.728 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.6 t -99.68 117.34 44.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.169 176.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.456 HG11 ' OD1' ' A' ' 32' ' ' ASP . 30.4 m -103.21 2.0 10.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.828 -175.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.57 ' HB3' HG21 ' A' ' 39' ' ' VAL . . . -164.87 155.57 14.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.919 0.39 . . . . 1.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.445 ' OE2' ' NE ' ' A' ' 50' ' ' ARG . 66.4 tt0 -165.77 124.8 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.215 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -120.82 146.0 46.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.81 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.526 ' O ' ' NH1' ' A' ' 43' ' ' ARG . 35.6 ptt85 -144.28 145.51 32.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.481 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -96.57 3.49 63.32 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.521 ' O ' ' NH1' ' A' ' 69' ' ' ARG . . . -159.46 -124.9 0.77 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.749 -0.94 . . . . 1.0 110.749 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -173.8 49.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.8 0.333 . . . . 1.0 110.533 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.419 ' NH1' ' HB2' ' A' ' 171' ' ' ALA . 38.2 ttm180 -81.13 -57.33 3.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.502 178.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.5 ' O ' ' NH1' ' A' ' 50' ' ' ARG . 30.6 mt -93.93 148.1 34.66 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.546 177.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.407 ' O ' ' CZ ' ' A' ' 50' ' ' ARG . 27.7 Cg_endo -62.98 165.59 16.2 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.778 2.319 . . . . 1.0 112.154 -179.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 31.1 t -87.11 127.73 35.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.67 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 34.8 mt -102.55 -1.39 30.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.433 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 50.3 tp -54.32 136.35 43.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.528 -178.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.41 -0.19 77.43 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.846 -0.902 . . . . 1.0 110.846 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.815 HD23 ' N ' ' A' ' 81' ' ' THR . 4.1 tt -94.96 129.93 41.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.35 . . . . 1.0 110.55 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.815 ' N ' HD23 ' A' ' 80' ' ' LEU . 9.8 t -95.44 127.48 41.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.676 178.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 28.4 m-85 -101.72 148.64 35.56 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.476 -179.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.83 146.06 14.57 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.865 2.376 . . . . 1.0 112.167 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.37 -35.58 76.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.583 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.68 -23.7 7.0 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.993 -0.843 . . . . 1.0 110.993 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 51.3 t0 -56.52 -31.46 64.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 1.0 110.577 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.475 ' O ' ' O ' ' A' ' 88' ' ' PRO . 7.1 mt -127.23 89.05 52.69 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.609 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.475 ' O ' ' O ' ' A' ' 87' ' ' ILE . 63.1 Cg_exo -33.83 -101.1 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.867 2.378 . . . . 1.0 112.179 -178.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.427 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 82.1 tt0 -169.06 -32.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.566 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -64.57 -38.84 92.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.555 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.0 -33.19 75.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.524 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -70.19 -23.13 62.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.453 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.576 ' O ' ' N ' ' A' ' 97' ' ' LEU . 94.0 mtt180 -56.43 -57.83 10.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.444 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.536 ' O ' ' N ' ' A' ' 98' ' ' ALA . 21.4 mt -54.92 -37.45 66.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.504 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.414 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 8.0 m-85 -65.14 -42.09 94.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.756 178.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 45.8 mtm-85 -86.6 -17.09 34.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.71 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.576 ' N ' ' O ' ' A' ' 93' ' ' ARG . 22.8 tp -102.1 -51.63 3.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.277 -176.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -102.61 -10.79 18.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.442 -176.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.487 ' C ' ' O ' ' A' ' 98' ' ' ALA . 89.7 mt-30 34.99 63.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.338 178.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.632 ' C ' ' HE ' ' A' ' 101' ' ' ARG . 15.4 t -107.21 -50.8 7.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.781 176.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.632 ' HE ' ' C ' ' A' ' 100' ' ' VAL . 0.2 OUTLIER 56.45 64.23 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.284 173.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.65 ' C ' HD12 ' A' ' 103' ' ' ILE . 12.3 p -146.04 124.26 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.62 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.65 HD12 ' C ' ' A' ' 102' ' ' VAL . 1.7 mp -111.19 132.91 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.778 178.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -83.64 171.42 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.335 -178.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -50.69 120.33 4.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.458 -178.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 15.6 m -57.07 -8.28 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.547 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -78.22 -31.52 49.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.342 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.57 -12.61 6.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.362 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 48.53 60.24 3.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.678 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.14 140.67 29.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.37 175.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 83.0 mtm-85 -122.57 128.99 51.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.855 -177.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.2 t . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.234 178.309 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.76 0.314 . . . . 1.0 110.503 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.607 ' CA ' ' HE ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -114.81 105.26 53.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.665 -179.287 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -80.05 140.96 14.51 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.725 2.284 . . . . 1.0 112.02 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.867 HG21 ' ND1' ' A' ' 139' ' ' HIS . 18.1 m -132.27 142.13 43.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.509 -178.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -40.15 155.77 0.18 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.451 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.728 ' O ' HG22 ' A' ' 140' ' ' VAL . 15.9 Cg_endo -58.73 -49.18 12.3 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.774 2.316 . . . . 1.0 111.888 -178.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -47.21 -18.89 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.388 -179.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.867 ' ND1' HG21 ' A' ' 135' ' ' VAL . 42.9 t-80 -90.87 -49.48 6.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.265 177.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 137' ' ' PRO . 2.4 m -54.16 -42.76 57.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.969 -0.559 . . . . 1.0 110.54 -178.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.513 ' N ' ' CG2' ' A' ' 140' ' ' VAL . 86.2 t60 -67.51 -42.78 82.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.492 177.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . 0.428 ' CE2' ' CE ' ' A' ' 146' ' ' MET . 39.5 t80 -46.98 -43.4 19.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.414 178.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.411 ' N ' HD12 ' A' ' 143' ' ' LEU . 11.0 mp -69.25 -48.18 62.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.419 177.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -57.54 -39.67 77.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.46 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 29.0 m -52.59 -28.28 20.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.506 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . 0.428 ' CE ' ' CE2' ' A' ' 142' ' ' TYR . 28.0 mtt -93.07 1.31 57.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.465 177.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 70.87 22.06 78.23 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.931 -0.867 . . . . 1.0 110.931 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.623 HG21 ' HB3' ' A' ' 169' ' ' HIS . 81.2 t -107.24 113.71 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.72 0.295 . . . . 1.0 110.753 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -91.17 -22.14 20.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.197 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.438 ' O ' ' CG1' ' A' ' 148' ' ' VAL . 24.9 t -110.69 136.18 50.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.192 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 2.2 t -142.62 120.88 12.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.914 0.388 . . . . 1.0 111.11 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 19.6 tp -118.88 135.95 54.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.998 -0.546 . . . . 1.0 109.994 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.435 ' C ' HG23 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -127.12 154.18 37.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.123 0.487 . . . . 1.0 111.195 -178.863 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.435 HG23 ' C ' ' A' ' 153' ' ' VAL . 93.9 t -156.28 79.34 4.01 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.687 -0.688 . . . . 1.0 109.973 -179.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' PRO . . . . . 0.43 ' HA ' HD12 ' A' ' 165' ' ' LEU . 52.7 Cg_exo -51.31 154.26 8.51 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.993 2.462 . . . . 1.0 112.676 -176.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 31.5 mt -117.52 96.72 5.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.859 -0.61 . . . . 1.0 110.195 178.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 20.8 ptm -108.12 136.69 47.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.741 -177.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . 0.509 ' CE1' ' CB ' ' A' ' 196' ' ' ALA . 38.1 t60 -111.25 124.0 51.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.43 176.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.448 ' CE1' ' NE2' ' A' ' 158' ' ' HIS . 5.8 m-70 63.77 -103.31 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.447 -177.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.86 -0.11 8.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.411 -178.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -111.4 160.09 17.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.516 -176.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 6.0 tt -107.29 122.33 46.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.401 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' TRP . . . . . 0.4 ' NE1' ' HB3' ' A' ' 158' ' ' HIS . 93.8 m95 -103.36 -39.37 6.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.921 -176.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -140.73 176.66 21.36 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.226 -0.749 . . . . 1.0 111.226 -177.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 155' ' ' PRO . 26.7 tp -146.4 129.1 16.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.768 0.318 . . . . 1.0 110.405 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 5.8 tp -99.71 142.56 31.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.615 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 9.0 p -151.29 142.28 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.693 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . 0.504 ' O ' ' ND1' ' A' ' 169' ' ' HIS . 13.2 p -126.99 146.16 50.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.417 178.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' HIS . . . . . 0.623 ' HB3' HG21 ' A' ' 148' ' ' VAL . 9.7 m80 -142.5 134.55 27.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.78 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -172.59 169.87 4.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.518 -178.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.419 ' HB2' ' NH1' ' A' ' 73' ' ' ARG . . . -54.58 -171.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.622 179.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -115.84 86.34 16.03 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.6 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -81.44 -59.95 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.881 2.388 . . . . 1.0 112.061 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -153.73 152.07 26.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.532 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -50.02 168.96 0.15 Allowed 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.711 2.274 . . . . 1.0 112.062 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -113.43 142.12 46.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.581 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 31.8 t -90.37 131.82 35.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.56 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -67.14 -39.59 86.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.505 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -60.6 -59.29 5.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.431 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -59.45 -34.08 72.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.471 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 27.5 tp -60.74 -38.39 85.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.451 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . 0.526 ' NE2' ' OE1' ' A' ' 185' ' ' GLN . 60.2 tp60 -56.84 -53.98 51.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.284 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 97.6 t -43.42 -42.03 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.148 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 187' ' ' LEU . 90.2 t -72.65 -38.93 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.164 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.526 ' OE1' ' NE2' ' A' ' 182' ' ' GLN . 56.0 tt0 -46.27 -36.99 6.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.082 178.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . 0.516 HD12 ' N ' ' A' ' 186' ' ' LEU . 9.9 mp -69.31 -36.35 76.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.006 177.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 187' ' ' LEU . 1.1 tt -55.24 -31.2 61.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.079 178.272 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -73.82 -38.91 64.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.079 178.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -57.02 -41.39 78.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.243 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . 0.592 ' O ' HG22 ' A' ' 193' ' ' ILE . 97.6 mm-40 -53.26 -55.82 21.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.152 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 194' ' ' ALA . 82.4 t -53.76 -40.36 43.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.131 178.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 3.5 p -47.1 -29.59 2.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.078 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . 0.592 HG22 ' O ' ' A' ' 190' ' ' GLN . 3.3 tt -80.07 -33.24 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.082 179.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 191' ' ' VAL . . . -72.28 -47.48 49.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.248 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . 0.435 HG23 ' N ' ' A' ' 196' ' ' ALA . 21.0 tt -63.18 -37.9 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.257 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . 0.509 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.32 -53.85 8.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.413 179.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -59.67 -26.85 65.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.379 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 194' ' ' ALA . . . -73.95 -38.4 64.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.432 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -52.98 -36.62 60.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.358 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 38.9 mt -62.02 -57.21 12.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.449 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 19.6 m -55.39 -43.49 75.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.46 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.59 ' N ' HD12 ' A' ' 202' ' ' LEU . 10.3 mp . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.962 -1.018 . . . . 1.0 110.539 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.0 tp . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.769 0.319 . . . . 1.0 110.575 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 33' ' ' GLN . 31.3 p-10 -66.42 -33.31 75.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.574 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.407 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 96.2 mt-30 -76.94 -54.61 6.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.586 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.722 HD13 ' O ' ' A' ' 34' ' ' ILE . 0.3 OUTLIER -56.9 -35.07 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.544 -178.484 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' A' ' 35' ' ' LEU . 79.3 mt -74.64 -27.81 60.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.655 -179.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -56.96 -35.02 68.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.602 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.47 -26.38 32.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.644 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 34' ' ' ILE . 68.5 p -73.49 -47.31 42.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.633 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 40' ' ' GLU . 7.6 p -58.7 -35.92 57.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.682 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.409 ' N ' HG13 ' A' ' 39' ' ' VAL . 94.6 mt-10 -74.87 -45.13 45.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.576 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -60.62 -39.97 90.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.489 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.0 t -65.58 -55.77 18.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.526 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.574 ' O ' ' N ' ' A' ' 47' ' ' GLY . 9.3 tmm_? -51.67 -41.52 61.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.499 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.2 80.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.552 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -80.02 -48.15 13.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.551 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.0 mt -79.62 -8.15 59.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.567 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 39.5 66.96 0.66 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.994 -0.842 . . . . 1.0 110.994 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.5 ' HB ' ' ND1' ' A' ' 170' ' ' HIS . 0.1 OUTLIER -119.37 139.96 51.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.879 0.371 . . . . 1.0 110.61 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.595 ' CG ' ' HE ' ' A' ' 73' ' ' ARG . 74.5 m-20 -47.74 -37.41 13.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.614 -176.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -149.16 130.02 14.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.967 0.413 . . . . 1.0 111.011 -177.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.475 HG23 ' OG1' ' A' ' 48' ' ' THR . 45.3 t -140.56 131.25 28.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.846 -0.615 . . . . 1.0 109.817 175.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -145.55 151.84 38.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.099 0.476 . . . . 1.0 111.234 -177.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 90.1 t -98.1 138.39 22.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.699 -0.682 . . . . 1.0 109.856 177.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -122.47 120.13 32.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 1.0 111.146 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.1 mtm180 -95.97 166.3 11.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.0 -0.546 . . . . 1.0 109.932 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.523 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 82.3 t80 -130.48 146.67 52.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.959 0.409 . . . . 1.0 110.89 -178.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.523 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 22.7 m-20 -116.95 148.5 42.32 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.291 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.76 -25.12 74.68 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.682 2.255 . . . . 1.0 112.038 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -77.34 -4.94 47.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.413 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.32 21.45 32.28 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.416 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 79.0 m80 -117.84 141.99 47.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 1.0 110.777 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -133.54 154.94 21.49 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.622 -0.991 . . . . 1.0 110.622 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.0 p -135.12 156.29 49.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.781 0.324 . . . . 1.0 110.746 -178.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.4 t -96.73 113.49 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.184 176.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.4 p -103.57 1.58 10.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.804 -175.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -162.31 149.56 13.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.375 . . . . 1.0 110.909 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.473 ' CD ' ' O ' ' A' ' 67' ' ' GLU . 2.0 pp20? -164.94 125.89 2.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.277 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -124.25 149.39 46.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.764 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.527 ' NH1' ' O ' ' A' ' 71' ' ' GLY . 36.4 ptt85 -146.28 148.13 32.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.02 -0.537 . . . . 1.0 110.509 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.92 -19.15 25.11 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.527 ' O ' ' NH1' ' A' ' 69' ' ' ARG . . . -130.28 -127.69 2.93 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.743 -0.943 . . . . 1.0 110.743 178.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -174.04 62.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.776 0.322 . . . . 1.0 110.618 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.595 ' HE ' ' CG ' ' A' ' 49' ' ' ASP . 8.6 ptp180 -91.91 -16.51 26.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.559 177.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.2 mt -134.36 164.15 46.1 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.477 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -81.63 174.84 10.04 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.705 2.27 . . . . 1.0 112.111 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.9 p -88.64 130.85 35.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.665 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.0 mt -102.38 -11.29 18.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.476 -178.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.2 tp -42.87 134.07 3.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.545 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.26 -1.44 79.75 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.419 HD23 ' CZ ' ' A' ' 82' ' ' PHE . 34.9 tp -94.55 127.92 40.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.789 0.328 . . . . 1.0 110.554 -179.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.451 ' O ' HG23 ' A' ' 81' ' ' THR . 10.1 t -96.98 128.46 43.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.636 178.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.419 ' CZ ' HD23 ' A' ' 80' ' ' LEU . 22.6 m-85 -99.4 140.75 21.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.533 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -75.53 139.57 23.09 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.818 2.345 . . . . 1.0 112.188 178.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.38 -33.23 65.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.605 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.69 -24.91 6.27 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.026 -0.83 . . . . 1.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -55.46 -31.42 61.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 1.0 110.607 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 8.3 mt -133.98 90.0 27.82 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.499 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.477 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 79.7 Cg_exo -37.72 -94.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.885 2.39 . . . . 1.0 112.079 -178.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.477 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 83.1 tt0 -170.08 -49.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.579 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -48.09 -38.6 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.588 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.455 ' O ' ' CD2' ' A' ' 95' ' ' PHE . . . -66.7 -41.25 88.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.57 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -60.14 -22.58 63.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.555 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 58.9 mtp85 -68.04 -52.58 33.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.502 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.634 HD12 ' N ' ' A' ' 94' ' ' LEU . 9.1 mp -44.6 -55.41 5.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.422 -178.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.566 ' O ' ' N ' ' A' ' 99' ' ' GLN . 9.2 m-85 -66.85 -30.16 70.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.765 -178.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.501 ' C ' HD12 ' A' ' 97' ' ' LEU . 28.3 ttp180 -63.94 -25.48 68.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.697 175.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.501 HD12 ' C ' ' A' ' 96' ' ' ARG . 11.0 mp -107.43 -31.18 8.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.213 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.684 ' CB ' HH12 ' A' ' 133' ' ' ARG . . . -94.59 -30.28 14.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.376 -177.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.566 ' N ' ' O ' ' A' ' 95' ' ' PHE . 91.4 mt-30 38.32 66.09 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.341 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.6 m -136.4 -42.79 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.77 177.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.786 ' HB3' HG13 ' A' ' 153' ' ' VAL . 24.4 mmt180 53.09 82.1 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.383 -0.372 . . . . 1.0 110.231 176.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.651 ' C ' HD12 ' A' ' 103' ' ' ILE . 34.2 m -146.94 122.7 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.605 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.698 HD12 ' N ' ' A' ' 103' ' ' ILE . 1.9 mp -109.33 136.42 45.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.701 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.8 m -81.81 171.71 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.297 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.401 ' OD1' ' OE2' ' A' ' 172' ' ' GLU . 0.3 OUTLIER -47.04 118.35 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.478 -178.485 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.9 m -58.29 -11.23 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.495 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.426 ' H ' ' HG2' ' A' ' 107' ' ' GLU . 15.4 pt-20 -79.98 -28.15 39.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.362 179.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.05 -12.7 8.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.378 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 50.62 61.69 3.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.667 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.8 p -86.1 139.47 31.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.367 175.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -122.26 129.32 52.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.822 -177.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.504 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 6.4 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.268 177.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.814 0.34 . . . . 1.0 110.423 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.684 HH12 ' CB ' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -115.66 108.56 46.83 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.725 -179.581 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -80.25 144.39 16.38 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.718 2.279 . . . . 1.0 111.977 178.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.522 HG21 ' ND1' ' A' ' 139' ' ' HIS . 34.6 m -126.44 136.19 61.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.577 -179.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.504 ' HA ' ' H ' ' A' ' 112' ' ' SER . 0.1 OUTLIER -44.23 157.5 0.29 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.502 179.244 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.66 -30.13 82.5 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.819 2.346 . . . . 1.0 111.924 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 139' ' ' HIS . 0.0 OUTLIER -53.22 -39.26 63.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.353 179.452 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.522 ' ND1' HG21 ' A' ' 135' ' ' VAL . 48.0 t-80 -81.79 -36.92 27.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.275 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 65.2 t -49.98 -55.06 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.494 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -64.83 -39.15 93.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.436 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -45.47 -49.77 13.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.499 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.486 HD11 ' CE1' ' A' ' 139' ' ' HIS . 76.9 mt -67.16 -51.03 58.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.4 178.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -53.71 -39.82 65.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.414 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.9 t -55.08 -28.1 49.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.59 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 23.3 mtt -89.34 0.29 56.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.464 177.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 69.96 25.39 75.65 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 178.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.641 HG13 ' O ' ' A' ' 148' ' ' VAL . 6.2 p -110.03 119.69 59.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.766 0.317 . . . . 1.0 110.668 179.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -82.57 -33.57 28.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.241 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.603 ' O ' HG22 ' A' ' 148' ' ' VAL . 73.8 m -110.16 146.65 35.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.152 -178.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.09 106.0 5.42 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.806 -0.357 . . . . 1.0 111.103 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 22.7 tp -101.94 117.01 33.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.05 -0.523 . . . . 1.0 109.972 178.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.786 HG13 ' HB3' ' A' ' 101' ' ' ARG . 2.4 p -128.57 158.38 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.282 -178.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.496 ' N ' ' CG2' ' A' ' 153' ' ' VAL . 10.6 t -150.34 137.09 11.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.649 -0.705 . . . . 1.0 109.926 -178.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -94.1 148.77 2.05 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.941 2.427 . . . . 1.0 112.693 -175.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 32.8 mt -117.67 98.05 6.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.196 178.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 41.5 mtp -108.24 124.45 50.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.768 -178.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . 0.635 ' ND1' ' NE2' ' A' ' 159' ' ' HIS . 4.4 t-80 -109.58 124.34 50.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.425 176.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.635 ' NE2' ' ND1' ' A' ' 158' ' ' HIS . 70.8 m-70 68.47 -112.09 0.12 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.452 -177.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -121.06 0.93 10.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.455 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -117.55 166.78 11.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.54 -177.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 5.9 tt -104.42 121.18 42.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.467 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' TRP . . . . . 0.425 ' CD1' ' HB3' ' A' ' 158' ' ' HIS . 59.7 m95 -103.1 -43.47 5.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.849 -176.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -136.95 176.64 20.32 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.28 -0.728 . . . . 1.0 111.28 -177.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.3 tp -150.0 125.37 10.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.744 0.307 . . . . 1.0 110.477 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.433 ' O ' ' O ' ' A' ' 154' ' ' VAL . 60.4 tp -99.14 135.9 39.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.561 178.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 14.8 p -142.59 146.46 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.672 -178.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 46.7 t -135.43 146.1 47.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.364 178.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -139.18 140.43 37.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.794 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . 0.5 ' ND1' ' HB ' ' A' ' 48' ' ' THR . 1.3 p-80 -172.43 168.97 5.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.496 -178.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -53.8 -172.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.621 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . 0.401 ' OE2' ' OD1' ' A' ' 105' ' ' ASP . 45.7 tt0 -120.33 80.47 29.08 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.6 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -84.47 -42.36 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.857 2.371 . . . . 1.0 112.171 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -154.5 154.11 28.93 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.575 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -68.28 178.46 3.65 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.826 2.351 . . . . 1.0 112.04 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -113.89 132.26 55.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.575 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 25.7 t -82.66 143.41 30.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.527 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -66.47 -42.11 88.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.465 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -60.79 -54.44 45.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.496 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -65.6 -29.08 69.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.421 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 31.5 tp -60.4 -31.25 70.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.386 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -71.01 -52.45 19.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.342 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 61.8 t -42.95 -48.68 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.152 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 187' ' ' LEU . 31.3 m -73.85 -37.24 47.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.217 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -47.05 -37.29 9.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.081 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 59.3 mt -73.08 -33.11 65.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.062 178.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 184' ' ' VAL . 9.7 tp -56.47 -32.69 65.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.019 178.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -74.26 -38.65 63.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.076 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -56.36 -41.25 75.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.149 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -54.32 -54.14 44.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.174 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 94.9 t -54.93 -44.31 72.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.116 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 6.4 t -48.56 -34.19 11.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.137 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 70.0 mt -79.48 -32.7 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.171 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -68.03 -44.54 76.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.266 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 12.5 tt -65.19 -32.49 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.231 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . 0.509 ' HB2' ' CD2' ' A' ' 158' ' ' HIS . . . -76.3 -57.54 3.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.402 178.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -55.33 -26.62 41.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.385 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -75.3 -36.18 61.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.432 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -49.57 -36.63 24.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.443 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 42.6 mt -53.0 -60.82 2.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.493 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 27.8 m -49.02 -39.62 27.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.445 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.584 ' N ' HD12 ' A' ' 202' ' ' LEU . 10.2 mp . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.952 -1.023 . . . . 1.0 110.557 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 22.1 tp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.848 0.356 . . . . 1.0 110.537 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -68.83 -31.54 70.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.598 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -78.04 -52.24 9.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.586 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.2 tp -62.66 -29.3 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.534 -178.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.457 ' O ' HG22 ' A' ' 38' ' ' THR . 82.6 mt -79.48 -22.73 43.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.619 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -76.21 -39.72 53.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.529 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.86 -34.3 45.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.608 -177.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.532 ' CG2' ' N ' ' A' ' 39' ' ' VAL . 4.3 t -65.92 -43.91 86.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.636 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.532 ' N ' ' CG2' ' A' ' 38' ' ' THR . 10.7 t -57.08 -36.83 52.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.68 178.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.06 -35.67 79.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.581 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -65.92 -41.84 90.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.513 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.1 t -61.55 -41.5 90.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.543 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.574 ' O ' ' N ' ' A' ' 47' ' ' GLY . 1.2 tmm_? -58.86 -51.96 67.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.537 179.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.452 ' N ' ' HE ' ' A' ' 43' ' ' ARG . . . -59.47 -41.12 89.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.505 -179.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -75.22 -53.9 8.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.569 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.54 ' O ' ' N ' ' A' ' 48' ' ' THR . 1.3 tp -77.67 -3.21 39.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.54 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 42.47 19.13 0.05 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 178.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.54 ' N ' ' O ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -73.13 139.04 46.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.825 0.345 . . . . 1.0 110.634 179.816 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.49 ' OD2' ' CZ ' ' A' ' 73' ' ' ARG . 72.2 m-20 -53.8 -37.13 63.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.63 -177.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.496 ' NH2' ' SD ' ' A' ' 146' ' ' MET . 60.2 ttp180 -146.38 128.58 15.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.957 0.408 . . . . 1.0 111.045 -176.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.427 HG13 HG21 ' A' ' 48' ' ' THR . 0.0 OUTLIER -141.15 134.64 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.822 -0.626 . . . . 1.0 109.853 175.415 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -145.32 153.51 41.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.032 0.444 . . . . 1.0 111.241 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.491 HG23 ' CG2' ' A' ' 39' ' ' VAL . 30.8 t -96.29 136.31 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.697 -0.683 . . . . 1.0 109.841 177.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -117.81 117.0 28.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.845 0.355 . . . . 1.0 111.2 -178.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.434 ' NE ' HG11 ' A' ' 65' ' ' VAL . 56.8 mtm180 -95.43 163.06 13.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.994 -0.548 . . . . 1.0 109.892 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.53 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 85.1 t80 -129.83 146.12 51.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.892 0.377 . . . . 1.0 110.914 -178.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.53 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 1.1 m-20 -113.7 148.07 39.0 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.293 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -60.84 -24.43 79.09 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.71 2.273 . . . . 1.0 112.063 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -77.53 -9.77 59.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.43 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 98.96 23.07 11.97 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.821 -0.912 . . . . 1.0 110.821 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -115.29 136.11 53.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 1.0 110.68 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -123.81 143.53 14.97 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.645 -0.982 . . . . 1.0 110.645 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.428 HG22 HG22 ' A' ' 81' ' ' THR . 81.7 p -133.33 153.3 51.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.81 0.338 . . . . 1.0 110.752 -178.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.707 ' CG1' ' H ' ' A' ' 79' ' ' GLY . 7.5 p -103.19 118.4 50.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.158 176.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.434 HG11 ' NE ' ' A' ' 55' ' ' ARG . 17.5 m -107.12 3.33 10.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.825 -175.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -157.31 145.25 19.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.92 0.39 . . . . 1.0 110.858 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.529 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 89.3 tt0 -167.41 126.42 1.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.215 179.058 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -128.19 145.94 50.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.769 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.453 ' C ' HH11 ' A' ' 43' ' ' ARG . 80.3 mtm180 -134.78 145.08 48.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.451 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -95.64 -53.89 1.5 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -91.67 -131.21 5.18 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.695 -0.962 . . . . 1.0 110.695 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.0 tp10 -173.25 56.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 1.0 110.588 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.49 ' CZ ' ' OD2' ' A' ' 49' ' ' ASP . 16.8 ptp180 -90.92 -48.15 7.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.462 177.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.449 ' O ' ' NH1' ' A' ' 69' ' ' ARG . 10.0 mt -103.12 148.87 36.29 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.511 178.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -66.88 175.17 5.74 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.739 2.292 . . . . 1.0 112.127 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 32.9 t -90.63 136.51 33.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.697 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.482 ' O ' ' C ' ' A' ' 78' ' ' LEU . 30.1 mt -109.2 -15.49 14.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.476 -179.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.529 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 8.4 tp -33.59 136.1 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.521 -178.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.707 ' H ' ' CG1' ' A' ' 64' ' ' VAL . . . 92.12 0.37 71.13 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.432 HD23 ' CZ ' ' A' ' 82' ' ' PHE . 30.8 tp -86.41 125.07 33.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.769 0.318 . . . . 1.0 110.54 -179.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.428 HG22 HG22 ' A' ' 63' ' ' THR . 14.3 p -101.5 129.19 47.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.648 177.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 4.0 m-85 -103.42 147.58 34.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.509 -179.121 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -79.97 145.65 17.77 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.854 2.369 . . . . 1.0 112.167 177.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.31 -38.4 71.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.691 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.85 -23.6 7.21 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.006 -0.837 . . . . 1.0 111.006 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -55.25 -26.54 40.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.745 0.307 . . . . 1.0 110.525 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.465 ' O ' ' O ' ' A' ' 88' ' ' PRO . 93.9 mt -134.54 93.18 18.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.53 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.465 ' O ' ' O ' ' A' ' 87' ' ' ILE . 85.6 Cg_exo -40.39 -103.54 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.775 2.316 . . . . 1.0 112.203 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.462 ' HG2' ' H ' ' A' ' 90' ' ' GLU . 1.1 pm0 -162.24 -53.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.51 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.462 ' H ' ' HG2' ' A' ' 89' ' ' GLU . 20.0 pt-20 -46.2 -39.83 10.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.553 -177.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.34 -43.69 73.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.569 179.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -67.42 -27.5 67.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.542 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 59.5 mtp85 -59.67 -52.89 63.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.523 -178.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.488 ' HG ' ' HB3' ' A' ' 98' ' ' ALA . 18.0 tp -52.31 -44.56 65.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.469 -178.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.437 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 7.4 m-85 -55.1 -31.12 60.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.782 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 70.3 mtm180 -84.91 -18.48 34.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.696 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.9 mp -103.15 -50.97 3.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.235 -177.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.488 ' HB3' ' HG ' ' A' ' 94' ' ' LEU . . . -99.52 -15.55 18.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.49 -174.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.482 ' C ' ' O ' ' A' ' 98' ' ' ALA . 90.4 mt-30 34.66 61.63 0.56 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.34 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.596 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 35.2 m -93.39 -44.52 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.77 177.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.596 ' CG ' ' O ' ' A' ' 100' ' ' VAL . 46.8 ptt85 47.1 49.55 14.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.338 173.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.614 ' C ' HD12 ' A' ' 103' ' ' ILE . 11.8 p -144.62 125.63 8.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.617 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.614 HD12 ' C ' ' A' ' 102' ' ' VAL . 1.6 mp -112.66 134.81 54.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.7 179.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.532 HG21 HE21 ' A' ' 132' ' ' GLN . 0.2 OUTLIER -84.47 171.67 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.289 -179.269 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -51.18 121.9 6.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.45 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 15.5 m -58.98 -9.72 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.547 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -75.71 -34.63 60.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.304 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.33 -10.62 2.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.356 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 47.02 62.42 2.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.729 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.74 136.63 33.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.393 175.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 74.6 mtp85 -120.55 132.18 55.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.835 -176.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.443 ' O ' ' CG ' ' A' ' 136' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.242 177.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . 0.532 HE21 HG21 ' A' ' 104' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.815 0.34 . . . . 1.0 110.431 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -112.37 103.48 55.44 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.693 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -48.5 146.96 9.76 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.743 2.295 . . . . 1.0 111.985 177.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -127.82 137.78 56.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.562 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 136' ' ' ASP . 0.3 OUTLIER -42.29 150.74 0.38 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.493 -179.704 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -50.54 -10.29 0.26 Allowed 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.854 2.369 . . . . 1.0 111.918 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . 0.42 ' H ' ' C ' ' A' ' 136' ' ' ASP . 0.7 OUTLIER -68.85 -43.15 76.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.386 179.127 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.631 ' NE2' HD11 ' A' ' 143' ' ' LEU . 0.0 OUTLIER -82.39 -41.2 20.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.302 -175.357 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.61 ' CG2' ' N ' ' A' ' 141' ' ' HIS . 1.7 m -54.71 -48.96 71.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.527 -178.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.61 ' N ' ' CG2' ' A' ' 140' ' ' VAL . 31.1 t-80 -69.45 -41.91 75.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.448 178.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . 0.506 ' CZ ' ' CE ' ' A' ' 146' ' ' MET . 52.5 t80 -45.8 -42.75 12.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.459 178.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.631 HD11 ' NE2' ' A' ' 139' ' ' HIS . 83.9 mt -71.37 -48.38 50.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.454 177.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -57.86 -42.86 85.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.472 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.508 ' OG ' ' CE1' ' A' ' 141' ' ' HIS . 25.9 m -54.6 -27.7 41.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.417 178.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . 0.506 ' CE ' ' CZ ' ' A' ' 142' ' ' TYR . 28.8 mtt -92.59 0.04 57.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.465 177.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 71.74 24.88 76.11 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 178.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.563 ' CG2' ' O ' ' A' ' 150' ' ' SER . 0.4 OUTLIER -113.02 122.06 66.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.836 0.351 . . . . 1.0 110.616 178.844 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -89.84 -24.57 21.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.293 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.563 ' O ' ' CG2' ' A' ' 148' ' ' VAL . 50.2 m -108.06 135.03 50.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.18 -178.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.473 ' OG ' HG21 ' A' ' 103' ' ' ILE . 1.4 p -136.73 116.72 13.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.884 0.374 . . . . 1.0 111.127 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 21.5 tp -116.64 134.11 55.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.009 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.416 ' C ' ' CG2' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -126.81 156.88 38.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.046 0.451 . . . . 1.0 111.254 -178.609 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.416 ' CG2' ' C ' ' A' ' 153' ' ' VAL . 1.4 t -151.42 76.08 7.73 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 115.727 -0.67 . . . . 1.0 109.963 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_exo -47.57 145.19 9.38 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.972 2.448 . . . . 1.0 112.688 -176.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 28.9 mt -111.86 96.82 6.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.222 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 17.9 ptm -112.58 134.54 54.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.796 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . 0.524 ' CE1' ' CB ' ' A' ' 196' ' ' ALA . 29.3 t60 -112.71 124.16 51.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.425 177.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.411 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 79.5 t60 67.4 -110.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.408 -178.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . 0.401 ' N ' ' CG ' ' A' ' 159' ' ' HIS . 23.5 tt0 -120.11 3.04 10.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.427 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.54 ' C ' HD12 ' A' ' 162' ' ' LEU . 58.9 mm-40 -114.47 163.32 15.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.559 -177.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 162' ' ' LEU . 10.5 mp -104.64 122.06 44.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.485 177.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 50.8 m95 -104.97 -41.63 5.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.909 -176.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -143.25 175.15 23.48 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.306 -0.718 . . . . 1.0 111.306 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.6 tp -146.4 134.18 21.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.747 0.308 . . . . 1.0 110.451 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 40.7 tp -104.75 143.17 33.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.618 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 13.0 p -148.01 136.71 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.692 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . 0.572 ' O ' ' ND1' ' A' ' 169' ' ' HIS . 2.5 m -123.99 142.51 51.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.358 179.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' HIS . . . . . 0.572 ' ND1' ' O ' ' A' ' 168' ' ' SER . 12.2 m-70 -142.78 137.69 29.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.723 -179.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -171.22 169.35 6.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.487 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.416 ' HB2' ' NH1' ' A' ' 73' ' ' ARG . . . -55.51 -171.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.617 178.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . 0.486 ' O ' ' OE1' ' A' ' 172' ' ' GLU . 0.0 OUTLIER -117.51 79.53 12.29 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.619 179.762 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -83.66 -55.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.856 2.37 . . . . 1.0 112.167 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 11.9 mtp-105 -144.79 153.25 54.0 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.524 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.17 175.17 5.08 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.812 2.341 . . . . 1.0 112.079 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 176' ' ' TYR . . . . . 0.473 ' CD1' ' O ' ' A' ' 176' ' ' TYR . 30.2 p90 -119.61 133.88 55.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.618 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 53.3 p -83.76 140.63 31.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.58 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -66.53 -36.94 83.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.518 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -60.39 -55.81 29.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.517 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -64.74 -32.68 74.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.459 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . 0.507 HD11 HH12 ' A' ' 101' ' ' ARG . 30.4 tp -57.49 -43.4 84.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.409 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -58.04 -49.88 75.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.299 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 64.4 t -43.32 -42.41 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.139 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 187' ' ' LEU . 93.5 t -73.88 -38.76 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.141 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.537 ' CD ' HH21 ' A' ' 101' ' ' ARG . 6.8 tt0 -45.23 -37.68 4.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.078 178.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 19.6 tp -72.42 -34.2 67.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.078 177.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 184' ' ' VAL . 6.7 tt -56.01 -34.5 65.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.079 178.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -75.54 -39.61 58.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.156 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -55.06 -41.39 71.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.088 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -54.74 -53.63 52.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.119 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 194' ' ' ALA . 78.4 t -51.28 -44.71 31.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.084 178.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 4.3 t -47.99 -30.33 4.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.078 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 7.8 mm -80.19 -32.19 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.09 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . 0.447 ' O ' ' HB2' ' A' ' 198' ' ' ALA . . . -71.03 -46.75 61.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.203 -178.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 2.3 pp -67.15 -32.61 58.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.268 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . 0.524 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.65 -56.54 4.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.347 178.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -59.26 -25.67 64.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.337 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 194' ' ' ALA . . . -74.4 -37.69 63.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.416 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -51.6 -37.51 50.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.453 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 43.5 tp -57.93 -58.62 7.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.482 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 88.1 p -53.65 -42.38 67.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.529 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.537 ' N ' HD12 ' A' ' 202' ' ' LEU . 10.7 mp . . . . . 0 C--O 1.219 -0.53 0 CA-C-O 117.983 -1.008 . . . . 1.0 110.603 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.1 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.827 0.346 . . . . 1.0 110.537 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -63.46 -34.6 78.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.568 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -76.87 -56.31 4.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.57 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.732 HD13 ' O ' ' A' ' 34' ' ' ILE . 0.2 OUTLIER -56.22 -36.48 46.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.557 -178.381 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.454 ' O ' ' OG1' ' A' ' 38' ' ' THR . 84.1 mt -72.35 -27.18 62.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.661 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.481 ' O ' HG12 ' A' ' 39' ' ' VAL . 59.3 ttt180 -57.76 -34.66 69.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.561 179.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.18 -25.07 34.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.628 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 34' ' ' ILE . 59.4 p -71.34 -48.18 51.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.656 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.481 HG12 ' O ' ' A' ' 36' ' ' ARG . 4.4 p -56.53 -39.41 61.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.664 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.455 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 98.2 mt-10 -70.95 -40.05 72.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.598 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -62.66 -43.98 97.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.502 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 70.1 t -64.2 -49.96 78.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.534 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.537 ' O ' ' N ' ' A' ' 47' ' ' GLY . 5.7 tmm_? -48.81 -44.61 39.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.512 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.04 -40.58 94.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.544 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -72.99 -52.88 12.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.608 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.565 ' O ' ' N ' ' A' ' 48' ' ' THR . 97.9 mt -79.82 -0.59 35.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.576 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.63 20.89 0.03 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 178.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.565 ' N ' ' O ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -72.42 136.67 46.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.899 0.38 . . . . 1.0 110.63 179.491 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.535 ' CG ' ' ND1' ' A' ' 170' ' ' HIS . 58.6 m-20 -54.97 -37.98 67.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.609 -177.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.735 ' NH2' ' H ' ' A' ' 74' ' ' LEU . 67.3 mtt85 -144.66 125.1 13.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.437 . . . . 1.0 111.017 -176.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.9 p -144.25 138.62 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.867 -0.606 . . . . 1.0 109.834 177.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -144.28 163.05 34.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.022 0.439 . . . . 1.0 111.271 -177.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.3 t -107.03 140.53 24.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.77 -0.65 . . . . 1.0 109.83 178.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.403 ' CZ ' ' HA3' ' A' ' 62' ' ' GLY . 17.4 t80 -123.92 120.42 32.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.893 0.378 . . . . 1.0 111.222 -178.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.532 ' NE ' ' OG1' ' A' ' 63' ' ' THR . 1.5 ppt_? -95.53 164.86 12.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.007 179.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -130.28 145.26 51.74 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.765 -0.374 . . . . 1.0 110.909 -178.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 22.0 t70 -116.01 133.66 22.85 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.298 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -44.04 -31.11 3.69 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.755 2.304 . . . . 1.0 112.044 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -71.69 -9.64 58.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.43 -178.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.96 18.21 27.83 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.8 -0.92 . . . . 1.0 110.8 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.476 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 85.3 m-70 -114.93 139.75 49.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 1.0 110.745 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.731 ' O ' HG23 ' A' ' 81' ' ' THR . . . -134.53 155.94 22.18 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.627 -0.989 . . . . 1.0 110.627 179.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.532 ' OG1' ' NE ' ' A' ' 55' ' ' ARG . 18.8 p -138.91 159.66 41.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.837 0.351 . . . . 1.0 110.831 -177.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.706 ' CG1' ' H ' ' A' ' 79' ' ' GLY . 11.7 p -101.05 113.74 38.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.156 175.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.3 m -101.41 3.69 10.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.883 -175.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -160.45 148.19 16.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 1.0 110.898 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.541 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 87.9 tt0 -167.67 126.33 1.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.258 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -124.87 133.36 53.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.816 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 49.6 mtm180 -114.35 141.71 47.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.503 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -91.72 -74.87 1.29 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 178.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.24 -120.9 1.21 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.741 -0.944 . . . . 1.0 110.741 178.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -174.06 53.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.797 0.332 . . . . 1.0 110.601 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.42 ' H ' ' HG2' ' A' ' 73' ' ' ARG . 10.7 ptp180 -90.49 -19.56 23.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.56 176.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.735 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 9.0 mt -130.3 162.73 52.55 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.538 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -81.88 173.16 11.39 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.749 2.3 . . . . 1.0 112.049 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 60.0 p -90.61 139.68 30.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.649 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.507 ' O ' ' C ' ' A' ' 78' ' ' LEU . 31.5 mt -113.47 -18.32 12.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.494 -178.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.541 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 7.8 tp -32.16 135.58 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.524 -177.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.706 ' H ' ' CG1' ' A' ' 64' ' ' VAL . . . 92.82 1.44 67.85 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 -179.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.759 HD23 ' N ' ' A' ' 81' ' ' THR . 3.5 tt -85.78 124.11 31.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.343 . . . . 1.0 110.587 -178.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.759 ' N ' HD23 ' A' ' 80' ' ' LEU . 29.0 m -94.71 122.73 37.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.616 177.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.504 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 11.2 m-85 -97.01 137.67 21.28 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.464 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -78.83 146.21 20.62 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.828 2.352 . . . . 1.0 112.182 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.6 -35.88 73.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.683 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -47.21 -23.17 1.67 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -52.63 -28.41 21.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.367 . . . . 1.0 110.619 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 14.9 pt -137.28 138.51 25.33 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.468 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.45 -94.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.859 2.372 . . . . 1.0 112.234 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -172.89 -25.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.605 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 91' ' ' ALA . 20.6 pt-20 -70.1 -41.24 74.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.53 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.412 ' N ' ' CG ' ' A' ' 90' ' ' GLU . . . -62.15 -34.69 76.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.522 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -65.25 -21.44 66.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.602 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.3 mmt85 -57.9 -54.78 43.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.45 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.628 ' O ' ' N ' ' A' ' 98' ' ' ALA . 8.7 mp -47.18 -49.4 22.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.513 178.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -64.82 -18.53 65.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.764 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -92.35 -35.24 13.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.672 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 23.1 mt -106.62 -41.36 5.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.177 -177.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.628 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -83.51 -28.01 28.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.432 -177.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.491 ' C ' ' O ' ' A' ' 98' ' ' ALA . 93.1 mt-30 32.68 58.56 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.358 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.524 HG12 HG12 ' A' ' 102' ' ' VAL . 11.3 t -106.02 -46.48 8.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.844 176.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 56.18 55.69 6.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.165 173.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.625 ' C ' HD12 ' A' ' 103' ' ' ILE . 8.2 p -146.91 128.19 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.634 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.625 HD12 ' C ' ' A' ' 102' ' ' VAL . 1.7 mp -112.19 135.01 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.721 178.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.429 HG22 ' H ' ' A' ' 104' ' ' VAL . 0.7 OUTLIER -82.65 170.3 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.309 -178.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -50.02 122.66 6.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.416 -0.357 . . . . 1.0 110.443 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 16.8 m -58.7 -10.1 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.552 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -76.35 -33.71 58.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.366 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.13 -13.2 10.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.431 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 49.52 62.91 2.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.73 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.3 p -84.7 136.29 33.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.36 174.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 94.2 mtm-85 -119.58 129.0 54.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.848 -176.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.228 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . 0.633 ' NE2' ' N ' ' A' ' 132' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.807 0.337 . . . . 1.0 110.477 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.589 ' NE ' HD23 ' A' ' 94' ' ' LEU . 3.1 tpm_? -109.08 103.61 52.75 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.688 -179.418 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -80.57 143.66 15.3 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.775 2.316 . . . . 1.0 111.982 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 1.9 t -130.55 138.82 52.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.506 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.26 153.47 0.24 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.429 -179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -50.07 -24.34 10.83 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.797 2.332 . . . . 1.0 111.953 -178.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -53.73 -51.06 64.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.482 178.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.628 ' NE2' HD11 ' A' ' 143' ' ' LEU . 0.1 OUTLIER -70.54 -37.05 74.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.281 -179.259 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 48.9 t -52.01 -64.36 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.473 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -61.76 -39.81 92.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.447 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . 0.479 ' CZ ' ' CE ' ' A' ' 146' ' ' MET . 60.5 t80 -44.97 -45.18 10.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.416 179.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.628 HD11 ' NE2' ' A' ' 139' ' ' HIS . 88.1 mt -69.37 -50.75 43.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.407 178.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -54.35 -40.84 68.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.439 -178.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 29.2 t -55.4 -25.2 34.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.479 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . 0.479 ' CE ' ' CZ ' ' A' ' 142' ' ' TYR . 29.0 mtt -93.15 -0.71 56.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.457 177.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 68.82 25.25 75.33 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.862 -0.895 . . . . 1.0 110.862 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.693 HG11 ' HB3' ' A' ' 169' ' ' HIS . 5.3 m -111.37 119.12 59.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.755 0.312 . . . . 1.0 110.697 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -81.6 -27.53 34.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.215 -179.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 34.5 t -106.8 146.46 30.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.116 -178.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.41 ' OG ' ' CG2' ' A' ' 103' ' ' ILE . 2.5 p -147.03 111.86 5.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.897 0.379 . . . . 1.0 111.161 179.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 43.1 tp -108.53 133.17 53.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.0 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.441 ' O ' HG23 ' A' ' 154' ' ' VAL . 1.5 p -129.54 152.08 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.083 0.468 . . . . 1.0 111.207 -178.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 153' ' ' VAL . 69.3 t -157.1 89.15 2.57 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.703 -0.681 . . . . 1.0 109.941 -177.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -55.47 153.17 29.76 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.967 2.445 . . . . 1.0 112.66 -176.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 31.0 mt -109.13 97.92 7.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.263 177.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 59.7 mtp -106.88 124.02 49.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.786 -176.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . 0.579 ' CE1' ' CB ' ' A' ' 196' ' ' ALA . 22.1 t60 -114.6 120.11 39.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.401 176.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.507 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 38.9 t-80 77.35 -114.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.336 -176.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -122.21 2.78 9.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.417 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -117.18 168.13 10.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.526 -178.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 6.3 tt -104.01 123.59 47.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.433 178.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' TRP . . . . . 0.526 ' CE3' ' OE2' ' A' ' 199' ' ' GLU . 50.9 m95 -104.96 -38.78 6.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.835 -176.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -141.21 174.42 22.83 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.243 -0.743 . . . . 1.0 111.243 -178.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.4 tp -143.25 130.98 21.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.714 0.292 . . . . 1.0 110.423 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.41 ' HB3' ' O ' ' A' ' 154' ' ' VAL . 12.5 tp -104.75 138.69 40.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.626 178.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 70.8 t -150.67 132.29 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.691 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . 0.454 ' O ' ' ND1' ' A' ' 169' ' ' HIS . 4.9 m -118.79 146.05 45.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.397 178.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' HIS . . . . . 0.693 ' HB3' HG11 ' A' ' 148' ' ' VAL . 20.2 m-70 -138.61 136.43 35.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.748 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . 0.709 ' CD2' ' N ' ' A' ' 171' ' ' ALA . 43.7 t60 -170.47 168.57 7.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.443 -178.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.709 ' N ' ' CD2' ' A' ' 170' ' ' HIS . . . -54.96 -167.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.561 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -114.2 94.42 34.92 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.592 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . 0.404 ' HG2' ' H ' ' A' ' 174' ' ' ARG . 94.1 Cg_endo -85.5 -65.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.851 2.368 . . . . 1.0 112.098 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.404 ' H ' ' HG2' ' A' ' 173' ' ' PRO . 89.0 mtt180 -151.39 153.52 32.48 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.548 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -49.43 170.97 0.08 OUTLIER 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.759 2.306 . . . . 1.0 112.106 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 176' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 176' ' ' TYR . 16.2 p90 -117.13 139.11 51.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.645 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 25.9 t -95.39 141.2 29.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.529 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -63.58 -32.66 74.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.519 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.09 -50.12 73.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.479 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -68.51 -31.3 70.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.436 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 32.0 tp -58.44 -35.35 71.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.436 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . 0.429 ' HA ' HE21 ' A' ' 185' ' ' GLN . 63.6 tt0 -68.26 -50.54 53.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.372 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 54.3 t -43.02 -50.13 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.135 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 5.0 p -74.52 -36.51 41.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.237 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.429 HE21 ' HA ' ' A' ' 182' ' ' GLN . 6.9 tt0 -47.73 -40.34 20.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.056 178.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 14.4 tp -73.51 -33.87 64.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.069 178.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 6.7 tt -56.58 -32.73 65.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.069 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -73.63 -38.51 65.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.067 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -58.67 -40.31 83.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.183 179.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . 0.603 ' O ' HG22 ' A' ' 193' ' ' ILE . 62.7 tt0 -53.9 -56.66 15.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.14 179.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 194' ' ' ALA . 88.3 t -52.43 -41.79 36.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.144 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 1.7 m -47.25 -28.7 2.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.093 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . 0.603 HG22 ' O ' ' A' ' 190' ' ' GLN . 3.3 tt -79.98 -32.61 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.138 179.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 191' ' ' VAL . . . -72.43 -47.33 49.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.163 -179.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . 0.46 HG23 ' N ' ' A' ' 196' ' ' ALA . 3.4 tp -62.57 -39.07 83.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.233 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . 0.579 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.27 -54.64 6.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.35 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . 0.417 ' O ' ' NE2' ' A' ' 197' ' ' GLN . 15.2 tm0? -56.7 -25.27 53.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.345 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -74.15 -37.81 63.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.48 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . 0.526 ' OE2' ' CE3' ' A' ' 163' ' ' TRP . 94.5 mt-10 -51.87 -38.47 56.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.408 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 28.9 tp -52.37 -67.05 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.465 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 19.3 m -66.38 -50.23 64.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.583 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 46.2 mt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.059 -0.972 . . . . 1.0 110.565 179.935 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.628 HD21 HH12 ' A' ' 55' ' ' ARG . 12.0 tp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.788 0.328 . . . . 1.0 110.542 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.7 p-10 -64.42 -32.18 73.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.565 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -76.87 -50.66 12.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.526 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.701 HD13 ' O ' ' A' ' 34' ' ' ILE . 0.3 OUTLIER -62.35 -29.33 46.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.557 -179.203 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.686 ' O ' HG22 ' A' ' 38' ' ' THR . 76.6 mt -80.29 -19.36 46.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.644 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.585 ' O ' HG12 ' A' ' 39' ' ' VAL . 53.1 ttm-85 -73.66 -34.87 65.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.539 179.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.3 -25.33 29.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.592 -178.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.686 HG22 ' O ' ' A' ' 35' ' ' LEU . 2.7 t -71.73 -43.0 66.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.6 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 36' ' ' ARG . 4.1 p -56.3 -38.01 53.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.686 178.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.436 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 98.8 mt-10 -75.22 -34.48 61.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.607 179.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -66.08 -52.53 47.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.519 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.568 HG13 ' N ' ' A' ' 43' ' ' ARG . 10.1 p -61.71 -44.98 99.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.541 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.568 ' N ' HG13 ' A' ' 42' ' ' VAL . 4.7 tmm_? -49.63 -42.94 46.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.555 179.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.54 -36.77 81.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.529 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -77.22 -50.25 13.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.549 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.574 ' N ' HD12 ' A' ' 46' ' ' LEU . 9.9 mp -78.86 -3.77 46.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.53 178.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.88 20.37 0.03 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.984 -0.846 . . . . 1.0 110.984 178.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.554 ' N ' ' O ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -71.88 136.0 46.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.77 0.319 . . . . 1.0 110.613 179.469 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' A' ' 70' ' ' GLY . 52.5 m-20 -55.33 -39.86 70.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.587 -177.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.558 HH12 ' NZ ' ' A' ' 52' ' ' LYS . 68.5 ttp85 -140.45 124.13 17.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.028 0.442 . . . . 1.0 111.025 -176.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.7 p -145.3 136.68 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.861 -0.609 . . . . 1.0 109.841 176.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.558 ' NZ ' HH12 ' A' ' 50' ' ' ARG . 23.8 pttm -145.52 163.79 33.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.042 0.449 . . . . 1.0 111.236 -177.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.675 HG12 ' HB3' ' A' ' 66' ' ' ALA . 9.2 p -108.23 138.68 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.669 -0.696 . . . . 1.0 109.828 178.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.443 ' CZ ' ' HA3' ' A' ' 62' ' ' GLY . 18.7 t80 -119.9 119.76 34.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.904 0.383 . . . . 1.0 111.222 -178.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.628 HH12 HD21 ' A' ' 31' ' ' LEU . 26.8 mmm-85 -93.63 162.56 13.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.966 -0.561 . . . . 1.0 109.899 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -131.66 145.72 51.81 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.744 -0.383 . . . . 1.0 110.944 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 61' ' ' HIS . 10.8 m-20 -117.78 136.27 23.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.298 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -45.17 -29.11 3.92 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.728 2.286 . . . . 1.0 112.065 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -74.2 -7.39 52.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.371 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.73 19.75 28.5 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.825 -0.91 . . . . 1.0 110.825 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.511 ' O ' ' N ' ' A' ' 57' ' ' ASP . 92.5 m-70 -116.05 140.01 49.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 1.0 110.715 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.443 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -135.45 157.3 23.13 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.644 -0.983 . . . . 1.0 110.644 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 70.9 p -140.03 159.03 43.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 1.0 110.738 -178.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.3 t -100.98 113.95 38.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.231 176.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 23.3 m -102.05 3.43 10.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.88 -176.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.675 ' HB3' HG12 ' A' ' 53' ' ' VAL . . . -158.72 146.01 17.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.938 0.399 . . . . 1.0 110.913 -179.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.532 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 88.7 tt0 -167.27 126.11 1.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.279 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -122.87 130.48 52.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.803 178.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.463 ' HA ' ' O ' ' A' ' 49' ' ' ASP . 79.1 mtm180 -109.82 141.04 43.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.462 -179.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -91.77 -103.54 1.4 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.24 1.23 6.83 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.771 -0.932 . . . . 1.0 110.771 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 58.52 62.57 1.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.785 0.326 . . . . 1.0 110.536 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.499 ' NH2' ' O ' ' A' ' 147' ' ' GLY . 5.6 ptm180 -86.52 -52.22 5.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.518 178.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.434 ' H ' ' HG3' ' A' ' 73' ' ' ARG . 14.3 mt -99.69 146.31 31.62 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.545 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -54.68 173.99 0.22 Allowed 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.678 2.252 . . . . 1.0 112.087 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.6 p -88.33 129.41 35.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.711 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.485 ' O ' ' C ' ' A' ' 78' ' ' LEU . 28.0 mt -103.62 -19.55 14.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.433 -178.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.532 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 22.5 tp -33.56 136.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.513 -177.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.87 0.37 66.4 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.854 -0.898 . . . . 1.0 110.854 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 mt -88.96 126.0 35.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.719 0.295 . . . . 1.0 110.571 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.446 ' O ' HG23 ' A' ' 81' ' ' THR . 8.8 t -100.1 128.82 46.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.619 177.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.502 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 8.3 m-85 -105.39 143.73 27.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.503 -179.055 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -78.86 147.64 21.65 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.875 2.383 . . . . 1.0 112.141 178.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.73 -35.7 68.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.604 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.08 -23.83 4.14 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -55.24 -31.79 61.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.838 0.351 . . . . 1.0 110.55 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.403 HD13 HG21 ' A' ' 87' ' ' ILE . 24.8 mt -125.29 131.5 24.08 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.542 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.91 -103.46 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.836 2.357 . . . . 1.0 112.159 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -164.43 -54.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.566 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -46.46 -37.68 8.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.571 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.06 -48.64 57.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.553 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.406 HH21 ' HB2' ' A' ' 162' ' ' LEU . 57.0 ttt180 -56.4 -22.74 33.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.553 -178.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 68.8 mtp85 -67.41 -48.57 66.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.471 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 98' ' ' ALA . 23.4 mt -46.35 -54.08 9.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.478 -178.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -60.24 -26.1 66.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.743 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -86.0 -20.53 28.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.733 179.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.8 mp -105.47 -48.91 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.255 -178.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -95.67 -16.64 21.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.47 -175.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.488 ' C ' ' O ' ' A' ' 98' ' ' ALA . 89.1 mt-30 34.51 63.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.355 178.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.616 HG23 ' N ' ' A' ' 101' ' ' ARG . 26.4 m -113.18 -48.19 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.811 176.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.616 ' N ' HG23 ' A' ' 100' ' ' VAL . 1.3 mtt180 58.38 63.99 1.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.24 174.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.19 123.08 14.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.606 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.455 HD12 ' OG ' ' A' ' 151' ' ' SER . 97.1 mt -110.57 130.14 64.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.723 178.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.5 m -81.56 169.17 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.306 -177.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -51.96 123.2 9.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.427 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 26.4 m -57.67 -8.69 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.518 178.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -75.53 -33.84 60.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.36 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.42 -15.87 51.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.389 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 50.31 59.99 4.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.673 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.2 m -88.02 140.12 29.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.399 175.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -121.11 131.58 54.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.85 -177.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.424 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 6.1 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.201 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.757 0.313 . . . . 1.0 110.447 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.413 ' HE ' ' HB3' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -135.94 119.82 12.77 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.632 -179.48 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.85 144.14 18.96 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.716 2.277 . . . . 1.0 112.025 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.612 HG23 ' NE2' ' A' ' 139' ' ' HIS . 0.0 OUTLIER -126.96 134.66 65.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.526 -179.758 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.424 ' HA ' ' H ' ' A' ' 112' ' ' SER . 1.1 p30 -45.72 155.33 0.49 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.463 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -49.57 -12.02 0.3 Allowed 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.855 2.37 . . . . 1.0 111.91 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -41.97 84.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.428 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.612 ' NE2' HG23 ' A' ' 135' ' ' VAL . 0.2 OUTLIER -82.38 -28.1 31.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.271 -178.799 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 40.7 t -51.61 -63.57 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.517 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -64.52 -43.56 93.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.456 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -47.27 -54.14 11.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.484 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.559 HD12 ' ND1' ' A' ' 139' ' ' HIS . 96.9 mt -66.82 -52.12 47.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.437 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 44.2 tptt -53.52 -40.96 65.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.413 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.9 t -53.96 -24.26 15.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.527 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 49.4 mtt -93.24 -1.69 55.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.395 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . 0.499 ' O ' ' NH2' ' A' ' 73' ' ' ARG . . . 71.51 25.97 74.15 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 179.171 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.624 HG13 ' O ' ' A' ' 148' ' ' VAL . 5.0 p -110.44 120.38 61.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.775 0.322 . . . . 1.0 110.701 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -84.16 -33.26 24.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.264 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.598 ' O ' HG22 ' A' ' 148' ' ' VAL . 26.7 t -106.79 146.7 30.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.146 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.455 ' OG ' HD12 ' A' ' 103' ' ' ILE . 2.0 t -148.41 119.34 7.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.917 0.389 . . . . 1.0 111.054 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 52.5 tp -112.45 117.7 33.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.98 -0.554 . . . . 1.0 109.999 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.611 HG13 ' HB3' ' A' ' 101' ' ' ARG . 2.0 p -100.64 153.02 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.036 0.446 . . . . 1.0 111.202 -178.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.559 ' O ' ' HB3' ' A' ' 166' ' ' LEU . 43.8 t -155.3 100.42 2.28 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 115.714 -0.676 . . . . 1.0 109.983 -178.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -78.37 151.04 25.84 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.944 2.429 . . . . 1.0 112.693 -178.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 38.7 mt -117.41 97.53 5.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.2 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 21.8 ptm -115.81 137.18 52.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.756 -178.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . 0.448 ' O ' ' HB3' ' A' ' 159' ' ' HIS . 45.8 t60 -113.78 122.92 48.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.405 177.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.448 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 78.3 t60 69.25 -109.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.376 -178.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -120.27 2.27 10.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.423 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -115.35 157.18 24.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.578 -176.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.406 ' HB2' HH21 ' A' ' 92' ' ' ARG . 14.6 tp -104.8 123.59 47.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.422 177.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' TRP . . . . . 0.417 ' CH2' ' OE2' ' A' ' 199' ' ' GLU . 98.9 m95 -102.45 -38.68 7.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.837 -177.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -148.26 178.92 25.53 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.216 -0.754 . . . . 1.0 111.216 -178.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 54' ' ' TYR . 2.1 tp -143.92 130.63 20.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.741 0.305 . . . . 1.0 110.425 -179.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.559 ' HB3' ' O ' ' A' ' 154' ' ' VAL . 4.3 tp -106.98 145.79 31.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.601 178.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 46.6 t -153.78 139.28 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.721 -177.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 16.4 m -120.2 141.08 50.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.362 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -135.5 137.6 42.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.772 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . 0.765 ' CD2' ' N ' ' A' ' 171' ' ' ALA . 24.8 t60 -170.84 166.13 7.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.509 -178.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.765 ' N ' ' CD2' ' A' ' 170' ' ' HIS . . . -51.97 -165.73 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.597 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -114.5 92.37 28.14 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.58 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -86.58 -62.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.859 2.373 . . . . 1.0 112.095 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 59.4 mtm-85 -147.41 153.91 44.64 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.496 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -49.03 177.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.785 2.323 . . . . 1.0 112.036 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -82.23 115.19 21.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.663 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 31.1 t -76.95 122.62 25.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.529 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -65.9 -30.9 71.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.534 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -64.44 -57.27 9.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.456 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.29 -29.45 67.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.454 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 17.3 tp -47.31 -58.2 4.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.376 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -60.71 -52.08 66.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.309 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 59.8 t -43.44 -48.52 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.189 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 86.6 t -74.98 -35.85 36.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.2 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -49.17 -41.59 37.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.094 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 53.0 mt -73.09 -33.71 65.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.042 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 20.0 tp -57.11 -31.21 65.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.084 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -72.6 -39.84 67.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.125 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -57.0 -40.09 75.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.152 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . 0.4 ' O ' ' OE1' ' A' ' 190' ' ' GLN . 0.7 OUTLIER -53.49 -55.4 25.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.173 179.709 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 81.9 t -56.25 -42.2 72.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.118 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 6.9 t -49.15 -34.47 14.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.056 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.6 mp -79.76 -33.06 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.148 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -70.27 -47.64 60.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.259 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . 0.491 HD11 ' NH2' ' A' ' 55' ' ' ARG . 18.8 tt -63.96 -33.2 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.291 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . 0.439 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.5 -54.44 7.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.392 179.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -58.75 -26.22 63.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.358 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -74.95 -36.5 62.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.496 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . 0.417 ' OE2' ' CH2' ' A' ' 163' ' ' TRP . 84.8 tt0 -55.61 -39.0 70.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.456 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 39.2 tp -63.6 -59.01 5.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.486 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 23.2 t -59.33 -45.8 90.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.495 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 13.9 tp . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.949 -1.024 . . . . 1.0 110.567 179.817 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.6 tp . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.776 0.322 . . . . 1.0 110.521 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -57.37 -32.88 67.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.534 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -76.49 -49.48 16.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.519 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.588 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.4 mp -62.07 -32.96 56.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.589 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.485 ' O ' HG22 ' A' ' 38' ' ' THR . 92.0 mt -78.73 -20.04 50.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.637 -179.264 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.543 ' O ' HG12 ' A' ' 39' ' ' VAL . 69.9 ttt180 -74.35 -34.11 63.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.563 178.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.59 -33.75 23.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.565 -178.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.556 ' CG2' ' N ' ' A' ' 39' ' ' VAL . 2.7 t -66.33 -44.85 82.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.588 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.556 ' N ' ' CG2' ' A' ' 38' ' ' THR . 4.6 p -56.31 -36.41 46.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.593 178.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -70.58 -39.12 74.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.602 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -63.2 -51.14 67.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.544 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.0 t -56.93 -51.5 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.527 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.549 ' O ' ' N ' ' A' ' 47' ' ' GLY . 30.7 ttp180 -47.16 -43.17 20.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.577 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.72 -37.58 82.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.458 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -76.18 -51.46 12.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.568 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.538 ' O ' ' N ' ' A' ' 48' ' ' THR . 18.2 mt -79.56 -1.11 36.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.587 179.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 41.44 21.44 0.06 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 178.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.61 HG22 ' H ' ' A' ' 50' ' ' ARG . 1.2 m -74.5 137.39 42.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.841 0.353 . . . . 1.0 110.537 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 69' ' ' ARG . 76.1 m-20 -69.34 -20.19 63.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.624 -176.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.61 ' H ' HG22 ' A' ' 48' ' ' THR . 62.6 ttp180 -148.76 119.07 7.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.018 0.437 . . . . 1.0 111.017 -178.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 167' ' ' VAL . 9.5 p -147.0 135.3 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.828 -0.624 . . . . 1.0 109.87 176.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.5 pttt -144.54 153.92 42.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.022 0.439 . . . . 1.0 111.258 -177.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.656 HG12 ' HB3' ' A' ' 66' ' ' ALA . 9.7 p -96.66 136.7 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.668 -0.696 . . . . 1.0 109.889 177.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.419 ' CZ ' ' HA3' ' A' ' 62' ' ' GLY . 18.1 t80 -120.3 119.89 34.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.935 0.398 . . . . 1.0 111.257 -177.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -95.53 164.31 12.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.988 -0.551 . . . . 1.0 109.89 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -131.3 144.51 51.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.994 0.426 . . . . 1.0 110.827 -178.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 61' ' ' HIS . 17.6 m-20 -115.55 135.05 22.57 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.319 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -45.22 -28.38 3.55 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.712 2.275 . . . . 1.0 112.03 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -75.11 -6.68 50.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.437 -178.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.31 18.99 31.62 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.787 -0.925 . . . . 1.0 110.787 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.476 ' O ' ' N ' ' A' ' 57' ' ' ASP . 76.0 m80 -114.29 139.11 49.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.914 0.387 . . . . 1.0 110.646 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.419 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -132.24 153.55 20.62 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.652 -0.979 . . . . 1.0 110.652 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.493 HG22 HG22 ' A' ' 81' ' ' THR . 63.9 p -138.99 158.73 43.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.771 0.32 . . . . 1.0 110.813 -178.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.6 t -102.44 116.79 46.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.238 175.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.3 m -106.44 2.65 10.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.809 -175.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.656 ' HB3' HG12 ' A' ' 53' ' ' VAL . . . -157.43 146.43 19.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.887 0.375 . . . . 1.0 110.915 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 87.3 tt0 -169.64 127.99 0.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.29 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.65 151.44 51.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.765 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.548 ' O ' ' NH1' ' A' ' 43' ' ' ARG . 0.6 OUTLIER -137.38 145.87 43.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.441 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -93.18 23.71 28.37 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 177.07 -114.02 0.45 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.786 -0.926 . . . . 1.0 110.786 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -178.17 38.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.875 0.369 . . . . 1.0 110.619 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -75.36 -57.46 3.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.458 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 30.5 mt -91.65 146.5 33.26 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.541 177.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -68.44 166.68 24.76 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.793 2.329 . . . . 1.0 112.06 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 57.5 p -92.47 138.61 31.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.68 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.0 mt -114.12 -10.15 12.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.467 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.404 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 22.8 tp -41.41 137.35 1.51 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.561 -178.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.0 -0.18 72.31 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.434 ' HA ' HD12 ' A' ' 80' ' ' LEU . 18.8 tp -94.3 130.21 40.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.327 . . . . 1.0 110.553 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.493 HG22 HG22 ' A' ' 63' ' ' THR . 3.8 p -99.89 130.34 46.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.585 178.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.469 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 13.9 m-85 -103.71 147.08 33.7 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.526 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -78.98 145.45 19.63 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.811 2.341 . . . . 1.0 112.159 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.6 -38.24 80.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.654 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.74 -21.43 4.9 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -61.38 -29.72 70.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 1.0 110.601 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.553 ' CG2' HH21 ' A' ' 92' ' ' ARG . 44.5 mm -112.77 99.11 47.08 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.472 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.542 ' O ' ' O ' ' A' ' 87' ' ' ILE . 76.2 Cg_exo -47.93 -122.61 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.807 2.338 . . . . 1.0 112.214 178.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -154.18 -47.95 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.573 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -60.24 -38.42 83.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.544 -178.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.98 -39.42 79.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.573 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.553 HH21 ' CG2' ' A' ' 87' ' ' ILE . 29.9 ttm180 -68.74 -23.83 64.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.562 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' ' 97' ' ' LEU . 27.1 mmt180 -59.84 -54.16 49.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.531 -178.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.514 ' O ' ' N ' ' A' ' 98' ' ' ALA . 23.4 mt -51.03 -38.58 52.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.472 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.452 ' HE2' HG11 ' A' ' 153' ' ' VAL . 7.9 m-85 -67.0 -35.4 79.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.742 178.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 73.5 mtm-85 -87.29 -17.2 33.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.716 178.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 93' ' ' ARG . 5.8 tp -101.37 -49.07 4.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.248 -177.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -102.78 -13.0 17.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.416 -176.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.501 ' C ' ' O ' ' A' ' 98' ' ' ALA . 90.5 mt-30 33.78 64.89 0.32 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.394 178.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.701 HG22 HG22 ' A' ' 102' ' ' VAL . 9.9 p -98.91 -50.63 10.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.827 177.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.687 ' N ' HG13 ' A' ' 100' ' ' VAL . 1.5 mtm105 62.22 52.89 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.302 172.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.701 HG22 HG22 ' A' ' 100' ' ' VAL . 13.1 m -148.75 126.91 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.66 178.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.679 HD12 ' N ' ' A' ' 103' ' ' ILE . 1.9 mp -108.92 134.68 50.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.741 177.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.676 HG22 ' N ' ' A' ' 105' ' ' ASP . 12.5 p -80.35 169.22 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.282 -177.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.676 ' N ' HG22 ' A' ' 104' ' ' VAL . 3.5 m-20 -47.64 120.63 3.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.466 -178.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.7 p -59.67 -14.31 6.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.495 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -80.0 -31.55 39.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.302 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.66 -10.92 1.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.356 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.767 HE21 HH21 ' A' ' 111' ' ' ARG . 54.3 tt0 50.8 62.59 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.648 179.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.44 135.13 33.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.357 174.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.767 HH21 HE21 ' A' ' 109' ' ' GLN . 98.1 mtt180 -117.62 127.96 54.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.825 -176.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.409 ' O ' ' CG ' ' A' ' 136' ' ' ASP . 11.0 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.244 176.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.764 0.316 . . . . 1.0 110.445 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.505 ' HE ' ' HA ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -131.7 87.33 46.0 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.628 -179.103 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_exo -49.28 141.48 24.11 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.827 2.351 . . . . 1.0 111.947 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 12.2 m -125.96 135.17 64.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.508 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 112' ' ' SER . 1.5 m-20 -43.5 151.31 0.47 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.454 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -46.77 -16.24 0.26 Allowed 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.891 2.394 . . . . 1.0 111.918 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -58.54 -47.83 82.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.453 178.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.926 ' CE1' HD11 ' A' ' 143' ' ' LEU . 15.5 t-80 -77.15 -30.17 54.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.262 -178.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 53.8 t -50.59 -65.92 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.519 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -60.26 -39.32 86.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.457 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -46.72 -49.91 18.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.478 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.926 HD11 ' CE1' ' A' ' 139' ' ' HIS . 88.2 mt -67.58 -51.44 50.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.386 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -57.65 -40.66 79.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.46 -178.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 24.3 t -55.89 -28.54 57.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.459 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . 0.549 ' SD ' ' NH2' ' A' ' 50' ' ' ARG . 28.6 mtt -91.07 -0.16 57.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.435 177.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 68.85 24.89 75.55 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.526 HG12 ' O ' ' A' ' 150' ' ' SER . 4.9 t -108.62 123.02 64.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.754 0.312 . . . . 1.0 110.639 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -83.36 -36.75 24.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.289 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.526 ' O ' HG12 ' A' ' 148' ' ' VAL . 49.5 m -103.83 149.96 24.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.069 -177.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.3 p -145.07 109.13 4.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.915 0.388 . . . . 1.0 111.104 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 49.3 tp -105.07 134.31 48.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.015 178.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.582 HG13 ' HB3' ' A' ' 101' ' ' ARG . 9.9 p -129.13 153.28 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.063 0.459 . . . . 1.0 111.222 -178.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.424 ' O ' ' HB3' ' A' ' 166' ' ' LEU . 88.1 t -153.67 81.42 4.86 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 115.673 -0.694 . . . . 1.0 109.909 -178.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -52.49 151.14 19.14 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.932 2.422 . . . . 1.0 112.686 -177.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 29.4 mt -116.57 96.82 5.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.209 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 17.7 ptm -110.42 135.88 50.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.796 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . 0.624 ' CD2' ' CE1' ' A' ' 159' ' ' HIS . 20.1 t60 -113.36 125.28 54.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.354 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.624 ' CE1' ' CD2' ' A' ' 158' ' ' HIS . 4.4 m-70 64.72 -110.58 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.352 -178.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -119.22 2.06 11.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.425 -179.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -115.01 165.26 13.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.617 -177.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 12.2 tp -105.35 119.84 40.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.421 177.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' TRP . . . . . 0.406 ' CD1' ' N ' ' A' ' 163' ' ' TRP . 32.8 m95 -103.0 -41.8 6.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.863 -177.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -141.9 173.77 23.46 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.2 -0.76 . . . . 1.0 111.2 -178.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 3.9 tp -145.61 129.97 17.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.79 0.329 . . . . 1.0 110.405 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.424 ' HB3' ' O ' ' A' ' 154' ' ' VAL . 21.4 tp -103.33 146.66 28.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.617 178.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . 0.45 ' O ' HG23 ' A' ' 51' ' ' VAL . 14.7 p -150.96 139.0 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.772 -179.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.6 143.27 50.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.381 178.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' HIS . . . . . 0.575 ' ND1' ' N ' ' A' ' 169' ' ' HIS . 0.0 OUTLIER -138.7 132.91 31.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.824 -179.659 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . 0.743 ' CD2' ' H ' ' A' ' 171' ' ' ALA . 17.3 t-80 -170.69 168.8 7.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.443 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.743 ' H ' ' CD2' ' A' ' 170' ' ' HIS . . . -52.1 -163.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.599 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -115.62 82.85 10.5 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.589 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -86.24 71.55 4.08 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.849 2.366 . . . . 1.0 112.118 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 53.1 mtt-85 63.49 150.7 0.11 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.491 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -48.35 169.94 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.791 2.328 . . . . 1.0 112.029 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -113.0 148.94 34.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.591 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 69.4 p -95.18 138.83 32.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.525 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -68.27 -31.4 70.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.598 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -60.22 -46.72 88.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.482 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -70.53 -29.7 66.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.465 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 31.7 tp -61.2 -31.9 71.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.428 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -70.68 -53.7 14.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.335 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 59.4 t -42.6 -47.84 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.145 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . 0.537 HG11 ' CD2' ' A' ' 46' ' ' LEU . 27.1 m -75.41 -35.49 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.192 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.551 ' OE1' ' NH1' ' A' ' 101' ' ' ARG . 51.0 tp60 -46.74 -39.03 10.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.076 178.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 186' ' ' LEU . 11.0 mp -72.83 -34.7 67.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.073 177.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 184' ' ' VAL . 25.7 tp -55.99 -34.52 65.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.123 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . 0.413 ' HB2' HG11 ' A' ' 154' ' ' VAL . . . -75.78 -36.92 59.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.098 178.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -54.92 -39.89 69.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.146 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -53.57 -51.4 63.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.163 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 84.4 t -54.24 -42.57 57.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.009 -0.542 . . . . 1.0 110.189 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 4.8 t -49.5 -36.37 22.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.093 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . 0.471 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -80.7 -31.66 12.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.165 178.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -69.77 -47.43 62.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.303 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 2.2 pp -65.52 -33.51 64.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.238 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . 0.482 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.77 -55.51 5.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.356 178.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -57.18 -25.61 59.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.342 178.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -75.01 -35.77 61.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.455 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -53.54 -39.47 64.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.417 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 42.9 tp -56.26 -63.64 1.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.499 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 85.6 p -62.47 -46.88 86.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.504 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 14.2 tp . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.029 -0.986 . . . . 1.0 110.491 179.774 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.561 HD21 ' CZ ' ' A' ' 55' ' ' ARG . 15.2 tp . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.827 0.346 . . . . 1.0 110.553 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -67.43 -31.75 72.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.555 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -76.85 -53.57 7.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.556 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.685 ' O ' HG23 ' A' ' 38' ' ' THR . 4.3 tp -59.58 -30.18 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.577 -178.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.665 ' CD1' HH22 ' A' ' 55' ' ' ARG . 76.6 mt -76.42 -26.01 55.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.617 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.589 ' O ' HG12 ' A' ' 39' ' ' VAL . 38.6 ttp180 -61.83 -37.02 82.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.559 179.097 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.81 -26.09 37.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.605 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.685 HG23 ' O ' ' A' ' 34' ' ' ILE . 72.3 p -68.97 -47.14 66.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.623 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 36' ' ' ARG . 3.8 p -55.16 -38.78 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.656 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.455 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 97.5 mt-10 -75.39 -40.06 58.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.574 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -64.7 -51.16 63.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.513 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.2 t -61.52 -53.61 46.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.529 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 47' ' ' GLY . 2.2 tmm_? -47.39 -39.35 15.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.59 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.98 -36.64 77.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.577 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -76.71 -47.66 21.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.6 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.612 ' N ' HD12 ' A' ' 46' ' ' LEU . 9.5 mp -77.82 -2.53 36.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.533 177.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.83 19.56 0.02 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.642 ' HG1' ' CE1' ' A' ' 170' ' ' HIS . 1.5 m -72.39 138.33 47.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.807 0.337 . . . . 1.0 110.595 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.646 ' CB ' ' HE ' ' A' ' 73' ' ' ARG . 77.3 m-20 -54.6 -40.39 68.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.642 -177.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.502 ' H ' HG22 ' A' ' 48' ' ' THR . 49.7 ttp180 -139.09 126.81 21.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.012 0.434 . . . . 1.0 110.971 -176.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.466 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 4.8 t -142.47 133.8 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.812 -0.631 . . . . 1.0 109.85 176.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 46.9 pttt -144.0 159.77 42.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.092 0.473 . . . . 1.0 111.178 -178.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.624 HG12 ' HB3' ' A' ' 66' ' ' ALA . 9.4 p -110.25 139.49 33.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.669 -0.696 . . . . 1.0 109.856 178.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.44 ' CZ ' ' HA3' ' A' ' 62' ' ' GLY . 11.2 t80 -123.79 123.26 40.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.916 0.389 . . . . 1.0 111.184 -177.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.665 HH22 ' CD1' ' A' ' 35' ' ' LEU . 30.9 ttm-85 -95.14 163.67 13.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.927 -0.579 . . . . 1.0 109.932 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.415 ' H ' ' HG2' ' A' ' 55' ' ' ARG . 83.2 t80 -129.74 145.68 51.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.943 0.401 . . . . 1.0 110.822 -178.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 61' ' ' HIS . 18.3 t70 -117.26 135.37 23.13 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.291 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -45.1 -28.33 3.28 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.711 2.274 . . . . 1.0 112.072 179.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -74.27 -5.61 43.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.436 -178.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.41 17.11 43.71 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.789 -0.924 . . . . 1.0 110.789 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.487 ' O ' ' N ' ' A' ' 57' ' ' ASP . 95.6 m-70 -117.25 143.78 45.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 1.0 110.693 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.44 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -138.46 160.98 25.67 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.595 -1.002 . . . . 1.0 110.595 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 75.0 p -139.71 159.43 42.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.82 0.343 . . . . 1.0 110.733 -178.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.3 t -99.45 115.81 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.207 176.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.42 HG21 ' NH2' ' A' ' 55' ' ' ARG . 23.5 m -101.94 3.92 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.898 -177.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.624 ' HB3' HG12 ' A' ' 53' ' ' VAL . . . -162.83 149.39 12.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.387 . . . . 1.0 110.869 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.512 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 88.0 tt0 -167.34 128.92 1.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.268 -178.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.466 ' O ' ' HA ' ' A' ' 50' ' ' ARG . . . -118.22 150.14 39.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.815 176.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.5 ptt-85 -137.06 142.64 42.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.508 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.473 ' C ' ' H ' ' A' ' 72' ' ' GLU . . . -96.12 -108.34 2.39 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.33 2.22 2.44 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.774 -0.93 . . . . 1.0 110.774 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.473 ' H ' ' C ' ' A' ' 70' ' ' GLY . 68.2 tt0 63.3 55.18 1.89 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.745 0.307 . . . . 1.0 110.571 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.646 ' HE ' ' CB ' ' A' ' 49' ' ' ASP . 7.5 ptp180 -84.81 -16.56 41.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.527 177.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.477 HD21 ' O ' ' A' ' 146' ' ' MET . 10.7 mt -136.49 128.8 17.32 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.513 179.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -49.29 172.41 0.06 OUTLIER 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.801 2.334 . . . . 1.0 112.07 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.8 p -88.85 122.66 32.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.743 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 41.0 mt -96.38 -7.66 34.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.459 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.512 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 6.0 tp -45.74 135.1 7.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.517 -178.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.52 -0.29 74.06 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.856 -0.897 . . . . 1.0 110.856 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.9 tp -93.83 128.86 40.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.847 0.356 . . . . 1.0 110.53 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.488 ' O ' HG23 ' A' ' 81' ' ' THR . 10.1 t -95.45 125.95 40.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.652 178.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -95.84 144.67 28.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.497 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -81.41 132.89 8.24 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.896 2.397 . . . . 1.0 112.14 178.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -46.49 -35.07 5.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.648 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.95 -24.36 6.3 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.969 -0.852 . . . . 1.0 110.969 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -48.82 -25.77 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 1.0 110.584 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.0 pt -130.52 136.05 28.35 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.583 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.52 -107.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.869 2.379 . . . . 1.0 112.102 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.507 ' O ' ' NH1' ' A' ' 93' ' ' ARG . 23.1 pt-20 -166.68 -29.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.535 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 91' ' ' ALA . 11.4 pt-20 -73.14 -45.25 57.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.571 -179.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.474 ' N ' ' CG ' ' A' ' 90' ' ' GLU . . . -59.24 -31.81 69.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.549 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.473 HH21 HD22 ' A' ' 162' ' ' LEU . 65.4 mtp180 -70.43 -22.88 62.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.527 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.528 ' O ' ' N ' ' A' ' 97' ' ' LEU . 72.6 mmt-85 -56.24 -59.81 4.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.506 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.436 ' CD1' ' CZ ' ' A' ' 133' ' ' ARG . 15.4 mt -54.69 -36.54 64.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.548 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.58 ' C ' HH12 ' A' ' 101' ' ' ARG . 8.9 m-85 -65.9 -52.27 51.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.702 179.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -76.17 -18.04 59.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.674 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 93' ' ' ARG . 25.1 tp -91.07 -46.89 7.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.28 -178.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -103.78 -39.73 6.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.361 -176.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.435 ' CG ' ' O ' ' A' ' 95' ' ' PHE . 94.8 mt-30 63.91 68.76 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.308 177.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.615 ' C ' ' HG2' ' A' ' 101' ' ' ARG . 15.4 m -107.49 -42.48 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.819 176.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.615 ' HG2' ' C ' ' A' ' 100' ' ' VAL . 0.1 OUTLIER 62.34 55.67 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.328 175.149 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.592 ' C ' HD12 ' A' ' 103' ' ' ILE . 69.2 t -148.61 125.46 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.615 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.592 HD12 ' C ' ' A' ' 102' ' ' VAL . 1.7 mp -109.49 137.05 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.739 176.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.665 HG22 ' N ' ' A' ' 105' ' ' ASP . 12.8 p -79.52 168.97 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.302 -178.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.665 ' N ' HG22 ' A' ' 104' ' ' VAL . 3.5 m-20 -48.41 124.05 7.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.4 -178.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.2 m -63.61 -14.01 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.535 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.412 ' C ' ' H ' ' A' ' 109' ' ' GLN . 2.8 pt-20 -79.89 -30.98 40.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.321 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.45 -7.92 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.319 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.412 ' H ' ' C ' ' A' ' 107' ' ' GLU . 90.3 mt-30 48.08 59.35 4.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.718 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.83 138.98 30.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.363 175.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -122.26 133.07 54.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.78 -176.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.521 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 1.2 t . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.185 177.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . 0.599 ' NE2' HG23 ' A' ' 104' ' ' VAL . 98.4 mt-30 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.83 0.348 . . . . 1.0 110.459 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.436 ' CZ ' ' CD1' ' A' ' 94' ' ' LEU . 6.3 mmm180 -135.29 92.49 17.77 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.713 -179.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -51.21 145.36 26.85 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.778 2.319 . . . . 1.0 112.003 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.836 HG21 ' ND1' ' A' ' 139' ' ' HIS . 34.5 m -126.48 135.48 63.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.581 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.521 ' HA ' ' H ' ' A' ' 112' ' ' SER . 0.0 OUTLIER -41.86 156.65 0.22 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.467 179.503 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -57.07 -47.02 24.86 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.82 2.346 . . . . 1.0 111.897 -178.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -49.8 -25.46 3.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.351 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.836 ' ND1' HG21 ' A' ' 135' ' ' VAL . 42.5 t-80 -87.83 -42.94 12.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.254 176.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 59.3 t -49.93 -49.32 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.557 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -65.72 -39.63 91.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.461 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -46.15 -49.61 16.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.405 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.91 -48.42 63.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.418 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -57.13 -41.62 79.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.492 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 28.1 t -53.17 -27.5 21.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.521 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . 0.477 ' O ' HD21 ' A' ' 74' ' ' LEU . 46.1 mtt -88.99 2.94 53.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.455 178.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 67.87 22.11 73.66 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 150' ' ' SER . 4.4 t -107.1 118.32 54.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.783 0.325 . . . . 1.0 110.708 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -79.96 -34.29 38.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.251 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.581 ' O ' HG12 ' A' ' 148' ' ' VAL . 30.7 t -108.8 143.44 37.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.074 -178.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 12.5 p -138.48 106.15 5.61 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.696 -0.402 . . . . 1.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 56.4 tp -98.45 126.26 43.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.99 -0.55 . . . . 1.0 109.973 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.722 HG23 HG22 ' A' ' 167' ' ' VAL . 10.6 p -120.99 147.15 25.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.058 0.456 . . . . 1.0 111.19 -179.163 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.419 ' CG2' ' C ' ' A' ' 153' ' ' VAL . 2.2 t -151.55 75.03 7.92 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 115.736 -0.665 . . . . 1.0 110.024 -177.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' PRO . . . . . 0.623 ' HD3' HG22 ' A' ' 153' ' ' VAL . 50.7 Cg_exo -49.56 154.62 4.24 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.948 2.432 . . . . 1.0 112.696 -177.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 58.0 mt -117.53 100.25 7.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.183 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 16.2 ptm -114.31 135.88 53.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.751 -178.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . 0.623 ' ND1' ' NE2' ' A' ' 159' ' ' HIS . 3.5 t-80 -116.76 124.66 50.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.397 177.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.623 ' NE2' ' ND1' ' A' ' 158' ' ' HIS . 63.2 m-70 70.55 -110.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.443 -178.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -121.34 0.41 10.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.41 -178.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -116.61 165.22 13.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.541 -177.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.473 HD22 HH21 ' A' ' 92' ' ' ARG . 4.0 mp -105.08 121.53 43.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.478 178.072 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' TRP . . . . . 0.437 ' CE3' ' OE2' ' A' ' 199' ' ' GLU . 79.1 m95 -103.28 -41.5 6.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.901 -177.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -138.31 -178.81 16.51 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.241 -0.744 . . . . 1.0 111.241 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.2 tp -149.18 126.11 11.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.703 0.287 . . . . 1.0 110.441 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.412 ' HB3' ' O ' ' A' ' 154' ' ' VAL . 12.1 tp -105.93 142.99 34.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.597 177.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . 0.722 HG22 HG23 ' A' ' 153' ' ' VAL . 71.0 t -152.46 146.43 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.78 -177.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . 0.685 ' C ' ' HD1' ' A' ' 169' ' ' HIS . 1.1 m -128.46 138.58 52.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.354 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' HIS . . . . . 0.685 ' HD1' ' C ' ' A' ' 168' ' ' SER . 0.3 OUTLIER -133.89 140.07 46.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.762 -179.252 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . 0.642 ' CE1' ' HG1' ' A' ' 48' ' ' THR . 1.1 p-80 -173.7 172.74 3.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.487 -178.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.531 ' O ' ' O ' ' A' ' 170' ' ' HIS . . . -51.85 -160.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.56 178.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . 0.564 ' OE1' ' N ' ' A' ' 172' ' ' GLU . 0.0 OUTLIER -114.48 82.32 7.61 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.568 179.315 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . 0.449 ' O ' ' O ' ' A' ' 174' ' ' ARG . 94.1 Cg_endo -84.52 73.78 4.42 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.834 2.356 . . . . 1.0 112.069 178.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' A' ' 173' ' ' PRO . 57.9 mtt85 56.87 154.63 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.446 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -48.45 170.02 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.795 2.33 . . . . 1.0 112.045 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 176' ' ' TYR . . . . . 0.432 ' HE1' ' HG ' ' A' ' 150' ' ' SER . 0.1 OUTLIER -109.27 143.92 38.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.592 179.457 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 33.1 t -92.1 136.08 33.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.58 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -66.75 -38.38 86.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.546 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -60.33 -53.25 59.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.492 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -65.1 -31.51 72.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.46 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 26.5 tp -60.56 -41.26 94.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.384 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -57.99 -53.13 61.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.314 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 57.8 t -43.9 -46.67 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.156 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . 0.417 HG13 HD11 ' A' ' 46' ' ' LEU . 77.3 t -74.19 -38.66 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.21 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -47.03 -38.77 11.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.051 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 57.9 mt -73.72 -32.99 64.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.027 178.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 187' ' ' LEU . 24.3 tp -56.38 -32.62 64.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.116 179.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . 0.405 ' HB2' HG11 ' A' ' 154' ' ' VAL . . . -74.6 -39.58 62.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.049 178.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -56.37 -41.54 76.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.182 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . 0.469 ' O ' HG22 ' A' ' 193' ' ' ILE . 0.7 OUTLIER -53.33 -55.1 27.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.121 178.865 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 194' ' ' ALA . 97.2 t -53.51 -41.8 46.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.092 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 3.8 p -47.83 -30.31 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.114 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . 0.469 HG22 ' O ' ' A' ' 190' ' ' GLN . 1.1 tp -80.65 -32.56 13.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.172 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 191' ' ' VAL . . . -71.14 -46.13 62.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.299 -179.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 16.7 tt -65.18 -33.15 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.26 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . 0.484 ' HB2' ' CD2' ' A' ' 158' ' ' HIS . . . -75.83 -56.23 4.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.326 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -57.63 -24.71 57.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.363 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -73.96 -37.58 64.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.414 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . 0.437 ' OE2' ' CE3' ' A' ' 163' ' ' TRP . 91.0 mt-10 -53.46 -39.13 64.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.414 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . 0.617 ' N ' HD12 ' A' ' 200' ' ' LEU . 9.7 mp -56.97 -64.41 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.544 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 22.9 t -73.26 -63.87 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.436 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 31' ' ' LEU . 19.3 mt . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.934 -1.031 . . . . 1.0 110.532 -179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.473 HD11 HD12 ' A' ' 195' ' ' ILE . 7.8 tp . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.839 0.352 . . . . 1.0 110.645 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.0 p-10 -70.45 -31.77 69.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.597 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -79.12 -47.12 16.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.511 -178.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.9 tp -66.98 -27.94 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.55 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.61 ' O ' HG22 ' A' ' 38' ' ' THR . 82.3 mt -80.02 -22.97 41.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.623 -179.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -75.53 -35.13 60.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.538 178.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.48 -32.71 32.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.631 -177.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 35' ' ' LEU . 5.4 t -64.47 -45.04 89.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.624 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.55 ' N ' HG23 ' A' ' 38' ' ' THR . 53.9 t -58.57 -39.15 74.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.666 178.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.81 -38.22 76.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.588 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -62.59 -45.15 94.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.463 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.6 t -64.73 -40.31 88.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.525 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.567 ' O ' ' N ' ' A' ' 47' ' ' GLY . 61.9 ttp85 -51.77 -47.61 64.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.515 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.11 -36.03 76.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.513 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -79.03 -52.82 7.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.531 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 48' ' ' THR . 1.1 tp -78.93 -4.19 48.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.597 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.567 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 42.65 21.01 0.08 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 177.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.557 ' OG1' ' ND1' ' A' ' 170' ' ' HIS . 6.8 t -74.39 137.38 42.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.783 0.325 . . . . 1.0 110.626 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 50' ' ' ARG . 16.9 p30 -72.03 -14.91 62.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.564 -176.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.533 ' NH2' ' O ' ' A' ' 75' ' ' PRO . 14.7 ttt180 -151.77 118.05 5.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.977 0.417 . . . . 1.0 111.049 -178.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.5 ' HB ' HG21 ' A' ' 48' ' ' THR . 2.3 p -153.64 137.37 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.913 -0.585 . . . . 1.0 109.905 176.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.7 pttm -147.26 160.39 42.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.003 0.43 . . . . 1.0 111.299 -178.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.454 HG12 ' HB3' ' A' ' 66' ' ' ALA . 5.1 p -97.43 138.68 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.741 -0.663 . . . . 1.0 109.882 178.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.428 ' O ' ' N ' ' A' ' 165' ' ' LEU . 30.5 t80 -121.03 118.78 30.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.91 0.386 . . . . 1.0 111.264 -177.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -95.83 162.03 13.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.961 -0.563 . . . . 1.0 109.885 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.525 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 89.4 t80 -128.85 145.61 51.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.902 0.382 . . . . 1.0 110.892 -178.136 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.525 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 24.3 m-20 -115.45 148.25 40.51 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.256 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -60.52 -21.83 69.85 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.673 2.249 . . . . 1.0 112.056 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -80.34 -6.16 57.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.447 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.36 22.19 27.61 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.765 -0.934 . . . . 1.0 110.765 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -116.48 138.62 51.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.898 0.38 . . . . 1.0 110.719 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -128.83 149.83 18.55 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.592 -1.003 . . . . 1.0 110.592 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.7 p -133.61 154.42 50.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.851 0.358 . . . . 1.0 110.716 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.8 t -98.73 114.63 36.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.223 175.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.677 HG22 ' O ' ' A' ' 65' ' ' VAL . 5.8 p -104.85 1.59 10.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.827 -175.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.454 ' HB3' HG12 ' A' ' 53' ' ' VAL . . . -160.37 147.36 15.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.378 . . . . 1.0 110.919 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.469 ' OE2' ' O ' ' A' ' 68' ' ' ALA . 7.8 tp10 -166.68 127.25 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.943 -0.572 . . . . 1.0 110.272 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.469 ' O ' ' OE2' ' A' ' 67' ' ' GLU . . . -131.48 150.24 52.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.82 178.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.533 ' NH2' ' O ' ' A' ' 71' ' ' GLY . 2.9 ptm180 -147.51 153.51 39.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.401 -179.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.75 -49.08 1.55 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.834 -0.906 . . . . 1.0 110.834 179.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.533 ' O ' ' NH2' ' A' ' 69' ' ' ARG . . . -98.25 -138.65 10.34 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.748 -0.941 . . . . 1.0 110.748 178.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.553 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -166.22 58.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.807 0.337 . . . . 1.0 110.542 178.867 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.543 ' NH1' ' HB2' ' A' ' 171' ' ' ALA . 16.4 ptp180 -89.0 -15.75 33.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.516 177.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.4 mt -134.4 163.26 52.43 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.506 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.533 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 6.3 Cg_exo -80.22 173.13 12.9 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.726 2.284 . . . . 1.0 112.06 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.6 p -91.24 133.92 35.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.684 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.527 ' CD1' ' NH2' ' A' ' 50' ' ' ARG . 15.3 mt -107.55 -6.55 16.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.477 -178.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 40.3 tp -48.74 136.92 12.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.498 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.37 -0.62 83.57 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.3 tp -97.28 131.63 43.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 1.0 110.511 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.74 125.08 38.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.654 178.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -96.12 142.4 24.52 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.516 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -78.94 138.55 14.72 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.78 2.32 . . . . 1.0 112.203 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.61 -32.98 63.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.633 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.98 -23.74 3.91 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.984 -0.846 . . . . 1.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -48.8 -20.56 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.778 0.323 . . . . 1.0 110.543 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.401 HG21 HD13 ' A' ' 87' ' ' ILE . 29.4 pt -144.59 144.74 25.93 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.527 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -78.85 -97.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.91 2.406 . . . . 1.0 112.105 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.415 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 21.7 pt-20 -170.94 -41.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.595 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.415 ' N ' ' CG ' ' A' ' 89' ' ' GLU . 21.8 pt-20 -54.45 -40.36 68.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.577 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.4 ' N ' ' CG ' ' A' ' 90' ' ' GLU . . . -63.59 -34.71 78.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.51 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -68.21 -23.02 64.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.529 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 97' ' ' LEU . 29.4 mmt180 -57.85 -56.35 23.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.526 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.58 ' O ' ' N ' ' A' ' 98' ' ' ALA . 32.9 mt -53.11 -36.48 60.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.502 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -67.56 -36.32 80.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.724 178.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -86.54 -22.03 26.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.693 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 93' ' ' ARG . 9.9 mp -103.92 -47.95 4.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.248 -177.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.58 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -95.02 -17.16 22.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.508 -176.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.501 ' C ' ' O ' ' A' ' 98' ' ' ALA . 91.4 mt-30 33.06 62.93 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.391 178.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.615 HG13 ' N ' ' A' ' 101' ' ' ARG . 12.4 p -117.46 -46.63 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.812 177.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.615 ' N ' HG13 ' A' ' 100' ' ' VAL . 0.0 OUTLIER 51.83 69.88 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.249 174.021 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.653 ' C ' HD12 ' A' ' 103' ' ' ILE . 11.6 p -143.79 124.89 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.584 179.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.653 HD12 ' C ' ' A' ' 102' ' ' VAL . 1.8 mp -109.16 131.34 60.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.694 179.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.463 HG22 ' H ' ' A' ' 104' ' ' VAL . 4.5 m -82.98 171.02 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.277 -178.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -50.9 121.07 5.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.462 -178.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.5 m -59.0 -9.86 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.534 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -79.68 -33.46 41.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.359 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.05 -9.91 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.358 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 47.23 58.39 4.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.717 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 p -87.7 139.9 30.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.419 175.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 43.2 ptt85 -123.04 132.93 54.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.798 -177.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.438 ' O ' ' OD2' ' A' ' 136' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.234 178.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.735 0.302 . . . . 1.0 110.499 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.485 ' CD ' HD13 ' A' ' 94' ' ' LEU . 14.9 mmt-85 -122.18 85.37 46.6 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.671 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -54.63 143.99 66.27 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.789 2.326 . . . . 1.0 111.923 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.802 HG21 ' ND1' ' A' ' 139' ' ' HIS . 31.2 m -122.69 130.02 74.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.575 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.67 ' OD1' ' N ' ' A' ' 136' ' ' ASP . 0.0 OUTLIER -42.84 174.19 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.42 179.612 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 140' ' ' VAL . 13.6 Cg_exo -67.56 -48.91 1.35 Allowed 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.863 2.375 . . . . 1.0 111.924 -178.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -47.57 -23.16 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.35 179.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.802 ' ND1' HG21 ' A' ' 135' ' ' VAL . 29.5 t-80 -88.41 -38.52 15.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.291 176.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 137' ' ' PRO . 68.7 t -50.43 -47.84 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.546 178.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -67.98 -42.35 80.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.494 178.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . 0.426 ' O ' ' OG ' ' A' ' 145' ' ' SER . 61.7 t80 -45.77 -54.74 7.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.494 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 51.4 mt -68.11 -50.95 51.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.388 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -55.1 -39.88 69.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.469 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 142' ' ' TYR . 59.1 p -54.91 -25.6 30.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.462 179.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 52.0 mtt -91.88 -0.35 57.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.423 178.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 67.96 22.18 73.87 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 148' ' ' VAL . 3.6 m -109.49 119.32 58.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.775 0.321 . . . . 1.0 110.676 179.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -88.47 -21.46 24.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.241 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.405 ' CB ' ' OH ' ' A' ' 176' ' ' TYR . 2.2 t -111.18 140.87 45.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.136 -179.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.4 t -145.79 118.05 8.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.92 0.39 . . . . 1.0 111.143 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 17.0 tp -115.27 135.69 53.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.006 -0.543 . . . . 1.0 109.995 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.48 155.55 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.12 0.486 . . . . 1.0 111.193 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.636 ' CG1' HD23 ' A' ' 166' ' ' LEU . 4.8 p -160.65 83.89 2.0 Allowed Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.633 -0.712 . . . . 1.0 109.936 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -50.83 156.26 4.83 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.922 2.415 . . . . 1.0 112.739 -176.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 28.7 mt -116.35 95.88 5.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.175 178.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 15.4 ptm -110.29 136.94 48.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.763 -177.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . 0.506 ' O ' ' HB3' ' A' ' 159' ' ' HIS . 20.0 t60 -120.43 122.84 41.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.341 177.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.506 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 64.9 t60 77.63 -115.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.417 -177.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -121.0 1.81 10.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.376 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -117.03 166.18 12.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.621 -177.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 13.0 mt -105.66 123.75 48.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.479 178.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' TRP . . . . . 0.4 ' NE1' ' HB3' ' A' ' 158' ' ' HIS . 82.5 m95 -102.18 -35.57 8.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.906 -177.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -147.92 177.69 26.01 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.25 -0.74 . . . . 1.0 111.25 -178.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 54' ' ' TYR . 2.3 tp -143.92 130.41 20.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.689 0.28 . . . . 1.0 110.448 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.636 HD23 ' CG1' ' A' ' 154' ' ' VAL . 21.3 tp -104.68 143.56 32.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.547 179.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 7.7 p -151.64 139.54 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.644 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 42.4 m -125.35 146.88 49.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.381 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' HIS . . . . . 0.519 ' ND1' ' O ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -143.21 138.5 29.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.745 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . 0.557 ' ND1' ' OG1' ' A' ' 48' ' ' THR . 1.0 OUTLIER -172.13 170.25 5.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.489 -178.737 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.543 ' HB2' ' NH1' ' A' ' 73' ' ' ARG . . . -55.18 -174.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.601 178.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 67.9 tt0 -118.12 81.15 16.06 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.567 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -85.13 -37.14 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.895 2.396 . . . . 1.0 112.07 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -160.61 154.03 18.58 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.483 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -66.06 176.93 3.38 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.761 2.307 . . . . 1.0 112.057 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 176' ' ' TYR . . . . . 0.405 ' OH ' ' CB ' ' A' ' 150' ' ' SER . 0.1 OUTLIER -113.28 135.01 54.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.608 -179.811 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 50.5 m -89.12 139.06 30.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.568 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -65.98 -39.43 90.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.49 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . 0.513 ' CD ' ' H ' ' A' ' 179' ' ' GLU . 47.7 mp0 -62.91 -53.54 52.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.466 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -64.34 -33.18 75.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.384 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 26.0 tp -58.85 -42.04 88.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.372 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -56.2 -50.97 69.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.293 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 61.8 t -43.06 -46.31 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.172 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 187' ' ' LEU . 60.1 t -74.28 -38.59 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.162 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -47.33 -38.01 12.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.063 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 52.7 mt -73.86 -34.68 64.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.075 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 184' ' ' VAL . 26.3 tp -55.97 -32.56 63.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.126 178.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -73.49 -36.91 65.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.119 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -56.1 -39.55 72.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.123 178.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -53.95 -54.28 41.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.167 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 92.7 t -54.81 -42.35 61.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.026 -0.533 . . . . 1.0 110.162 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 2.5 m -49.77 -30.6 9.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.068 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 65.2 mt -81.46 -34.56 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.081 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -69.59 -45.53 68.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.23 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . 0.473 HD12 HD11 ' A' ' 31' ' ' LEU . 3.2 tp -64.6 -33.76 65.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.266 179.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . 0.474 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -76.14 -56.1 4.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.339 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -58.91 -26.61 64.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.374 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -75.18 -36.98 61.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.463 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -54.47 -39.1 67.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.401 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 40.2 mt -61.63 -58.6 7.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.462 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 22.2 t -61.68 -47.5 85.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.5 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 11.3 tp . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.018 -0.992 . . . . 1.0 110.549 179.937 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.785 HD12 ' HB2' ' A' ' 198' ' ' ALA . 9.9 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.843 0.354 . . . . 1.0 110.57 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -46.45 -30.6 2.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.644 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -77.12 -45.72 25.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.486 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.608 ' O ' HG23 ' A' ' 38' ' ' THR . 0.4 OUTLIER -67.31 -29.26 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.528 -179.753 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.486 ' O ' ' OG1' ' A' ' 38' ' ' THR . 95.4 mt -76.72 -25.08 53.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.653 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.518 ' NH1' ' OE2' ' A' ' 40' ' ' GLU . 0.6 OUTLIER -64.34 -32.43 74.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.523 177.546 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.86 -24.52 35.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.619 179.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 34' ' ' ILE . 73.6 p -71.49 -48.05 51.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.614 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' ' 36' ' ' ARG . 5.3 p -57.05 -38.18 58.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.61 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.518 ' OE2' ' NH1' ' A' ' 36' ' ' ARG . 98.0 mt-10 -70.02 -39.02 76.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.582 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -64.86 -44.77 88.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.481 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 70.2 t -60.27 -53.21 51.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.483 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 47' ' ' GLY . 6.3 tmm_? -51.1 -44.83 61.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.587 179.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.16 -40.96 95.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.556 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -71.65 -52.95 15.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.525 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 48' ' ' THR . 77.2 mt -78.85 -2.03 37.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.567 179.168 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 41.01 20.67 0.04 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 178.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.559 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.3 m -71.84 138.57 48.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 1.0 110.562 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.53 ' O ' ' HA ' ' A' ' 69' ' ' ARG . 93.3 m-20 -49.42 -43.27 44.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.574 -177.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.853 HH21 ' H ' ' A' ' 77' ' ' LEU . 72.5 ttt-85 -145.51 130.97 18.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.947 0.404 . . . . 1.0 111.036 -176.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.8 p -145.09 139.27 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.851 -0.613 . . . . 1.0 109.878 177.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.656 ' CE ' HH12 ' A' ' 50' ' ' ARG . 19.3 pttp -145.9 159.62 42.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.021 0.438 . . . . 1.0 111.317 -177.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 80.0 t -98.25 137.1 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.734 -0.666 . . . . 1.0 109.855 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.466 ' O ' ' N ' ' A' ' 165' ' ' LEU . 60.6 t80 -117.6 114.92 24.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.847 0.356 . . . . 1.0 111.197 -178.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -93.2 163.11 13.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.031 -0.531 . . . . 1.0 109.893 -179.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.536 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 81.3 t80 -132.27 147.4 52.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.938 0.399 . . . . 1.0 110.882 -178.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.577 ' N ' ' O ' ' A' ' 61' ' ' HIS . 15.5 m-20 -116.21 148.21 41.07 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.91 -0.587 . . . . 1.0 110.264 179.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.98 -28.74 88.69 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.756 2.304 . . . . 1.0 112.065 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -73.53 -7.19 50.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.389 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.43 23.81 13.58 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.792 -0.923 . . . . 1.0 110.792 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.577 ' O ' ' N ' ' A' ' 57' ' ' ASP . 78.5 m80 -119.6 141.11 49.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.859 0.361 . . . . 1.0 110.743 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -131.8 153.5 20.51 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.616 -0.994 . . . . 1.0 110.616 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 66.2 p -137.11 157.76 45.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.343 . . . . 1.0 110.747 -178.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.0 t -101.59 116.34 45.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.222 176.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.1 m -105.63 2.27 10.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.833 -175.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.441 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -156.71 147.44 21.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.902 0.382 . . . . 1.0 110.888 -179.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.571 ' OE2' ' N ' ' A' ' 68' ' ' ALA . 7.2 tp10 -165.39 123.69 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.323 179.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.571 ' N ' ' OE2' ' A' ' 67' ' ' GLU . . . -124.02 134.9 53.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.803 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.53 ' HA ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -119.25 141.46 48.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.507 -179.841 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.87 -81.88 1.49 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.31 -2.73 87.52 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.766 -0.933 . . . . 1.0 110.766 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 63.29 54.02 2.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.78 0.324 . . . . 1.0 110.53 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -80.06 -57.49 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.493 179.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 29.7 mt -90.14 147.42 36.99 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.45 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -64.21 166.44 16.87 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.804 2.336 . . . . 1.0 112.056 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.7 t -84.73 133.49 34.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.66 -179.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.853 ' H ' HH21 ' A' ' 50' ' ' ARG . 34.4 mt -112.11 -17.05 12.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.467 -179.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 77' ' ' LEU . 16.5 tp -34.32 138.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.545 -177.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.96 -0.03 69.0 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 mt -89.8 127.3 35.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 1.0 110.514 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.2 p -102.59 131.14 49.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.649 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.474 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 13.0 m-85 -106.64 141.6 23.17 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.544 -178.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -77.44 152.07 29.81 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.817 2.345 . . . . 1.0 112.131 177.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.76 -34.54 71.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.64 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.81 -26.92 8.67 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.028 -0.829 . . . . 1.0 111.028 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -55.45 -25.61 37.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.77 0.319 . . . . 1.0 110.549 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 38.0 mt -126.17 130.97 23.82 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.594 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -76.59 -111.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.778 2.319 . . . . 1.0 112.169 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -154.49 -56.93 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.541 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -49.72 -38.9 35.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.55 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.427 ' O ' ' CD2' ' A' ' 95' ' ' PHE . . . -70.41 -52.31 23.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.558 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -56.82 -26.51 58.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.531 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -67.15 -49.12 65.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.493 -177.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 98' ' ' ALA . 69.7 mt -47.07 -54.76 9.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.465 -177.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.566 ' CG ' ' CZ ' ' A' ' 101' ' ' ARG . 24.8 m-85 -56.43 -29.39 61.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.678 -178.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.534 ' C ' HD12 ' A' ' 97' ' ' LEU . 12.2 tpp180 -63.75 -27.31 69.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.711 175.034 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.556 HD12 ' N ' ' A' ' 97' ' ' LEU . 10.8 mp -106.19 -27.13 11.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.267 178.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -93.9 -32.57 13.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.452 -178.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.533 ' N ' ' O ' ' A' ' 95' ' ' PHE . 91.6 mt-30 36.13 65.34 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.386 179.215 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.508 HG13 ' N ' ' A' ' 101' ' ' ARG . 5.1 p -142.09 -42.07 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.829 178.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.566 ' CZ ' ' CG ' ' A' ' 95' ' ' PHE . 25.4 mmt180 52.62 90.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.28 176.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.569 ' C ' HD12 ' A' ' 103' ' ' ILE . 68.0 t -152.04 124.12 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.593 179.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.663 HD12 ' N ' ' A' ' 103' ' ' ILE . 1.8 mp -104.33 130.27 55.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.79 177.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.598 HG22 ' H ' ' A' ' 105' ' ' ASP . 9.6 p -84.3 169.7 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.341 -178.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.598 ' H ' HG22 ' A' ' 104' ' ' VAL . 5.6 m-20 -60.02 118.14 5.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.447 -178.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 106' ' ' VAL . 12.5 p -52.87 -12.15 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.58 179.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.724 ' C ' ' H ' ' A' ' 109' ' ' GLN . 4.0 pt-20 -93.63 -27.22 16.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.41 22.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.334 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.724 ' H ' ' C ' ' A' ' 107' ' ' GLU . 33.0 tp60 75.39 52.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.727 177.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 25.4 t -88.39 114.74 25.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.454 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -152.45 110.79 3.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.825 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 40.8 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.2 179.705 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.727 0.299 . . . . 1.0 110.453 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.545 ' CZ ' ' CD1' ' A' ' 94' ' ' LEU . 27.4 ttt85 -112.79 131.34 22.78 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.646 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.98 142.7 35.17 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.754 2.302 . . . . 1.0 112.013 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.623 ' O ' HG23 ' A' ' 135' ' ' VAL . 10.9 m -102.53 117.79 48.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.523 -179.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 138' ' ' CYS . 54.8 p-10 -49.94 150.31 4.11 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.425 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -45.66 -13.04 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.804 2.336 . . . . 1.0 111.905 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . 0.487 ' N ' ' O ' ' A' ' 136' ' ' ASP . 0.1 OUTLIER -69.99 -49.08 55.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.375 179.716 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.679 ' NE2' HD13 ' A' ' 143' ' ' LEU . 0.1 OUTLIER -83.0 -19.76 36.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.242 -178.719 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 44.5 t -52.11 -63.13 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.571 178.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.524 ' O ' ' N ' ' A' ' 145' ' ' SER . 7.3 m80 -60.65 -40.83 93.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.39 178.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -49.55 -58.81 4.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.445 178.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.679 HD13 ' NE2' ' A' ' 139' ' ' HIS . 1.3 tp -66.82 -51.8 51.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.471 -179.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 147' ' ' GLY . 3.2 tmtt? -57.43 -41.68 80.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.452 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.524 ' N ' ' O ' ' A' ' 141' ' ' HIS . 20.2 t -51.95 -25.54 8.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.51 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 29.6 mtt -92.36 -1.1 57.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.46 177.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 144' ' ' LYS . . . 74.93 26.62 66.37 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.3 t -109.82 117.75 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 1.0 110.711 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -79.82 -30.77 40.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.305 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.445 ' O ' ' CD2' ' A' ' 170' ' ' HIS . 26.2 m -146.12 121.74 10.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.135 -178.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 34.1 t -114.22 137.6 51.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.946 0.403 . . . . 1.0 111.032 178.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 37.9 tp -99.78 127.22 45.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.007 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.656 HG13 HG23 ' A' ' 167' ' ' VAL . 0.0 OUTLIER -128.07 159.09 39.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.021 0.439 . . . . 1.0 111.246 -178.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 3.4 t -149.12 126.5 5.57 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 115.731 -0.668 . . . . 1.0 109.985 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -77.05 126.99 9.03 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.966 2.444 . . . . 1.0 112.757 -173.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . 0.496 HD23 ' HB1' ' A' ' 188' ' ' ALA . 12.0 mt -104.0 93.94 5.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.239 177.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 23.6 ptm -121.05 138.89 53.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.782 -177.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . 0.621 ' CD2' ' CD2' ' A' ' 159' ' ' HIS . 70.3 t60 -112.86 123.52 50.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.402 177.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.621 ' CD2' ' CD2' ' A' ' 158' ' ' HIS . 7.8 m-70 61.01 -100.82 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.392 -178.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -124.61 5.47 8.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.427 -178.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.464 ' N ' ' OE1' ' A' ' 161' ' ' GLU . 38.2 mp0 -114.42 152.8 30.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.609 -176.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 11.7 tp -106.32 123.23 47.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.399 176.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' TRP . . . . . 0.415 ' HE1' ' HB3' ' A' ' 158' ' ' HIS . 74.9 m95 -100.34 -42.22 6.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.948 -176.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -150.91 -175.09 22.5 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.194 -0.762 . . . . 1.0 111.194 -176.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 54' ' ' TYR . 45.6 tp -150.13 134.53 17.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.759 0.314 . . . . 1.0 110.422 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 66.2 tp -98.38 138.12 36.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.589 178.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . 0.656 HG23 HG13 ' A' ' 153' ' ' VAL . 10.1 p -143.42 138.6 26.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.732 -178.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . 0.451 ' OG ' HG21 ' A' ' 48' ' ' THR . 0.1 OUTLIER -123.54 143.44 50.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.302 177.361 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -118.27 128.98 55.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.784 -178.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . 0.445 ' CD2' ' O ' ' A' ' 150' ' ' SER . 1.8 p-80 -168.12 162.35 12.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.474 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -61.0 -152.26 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.607 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -124.2 75.3 59.98 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.588 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -81.24 -59.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.849 2.366 . . . . 1.0 112.094 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -146.22 152.83 47.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.524 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.99 178.19 2.54 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.772 2.315 . . . . 1.0 112.065 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -108.97 140.02 43.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.57 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 25.1 t -91.22 141.38 28.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.523 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -64.65 -38.5 91.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.518 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -63.38 -57.58 9.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.479 -179.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -62.89 -34.54 77.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.433 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 26.3 tp -58.84 -41.23 86.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.403 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -58.57 -51.06 71.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.339 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 49.6 t -42.06 -47.94 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.174 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 97.1 t -73.96 -38.78 50.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.226 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -47.36 -39.21 14.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.117 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 17.8 tp -71.76 -34.95 69.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.028 177.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 12.7 tp -55.54 -31.98 62.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.086 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . 0.496 ' HB1' HD23 ' A' ' 156' ' ' LEU . . . -74.39 -35.74 63.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.083 178.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -60.05 -42.8 95.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.195 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -51.64 -53.81 34.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.191 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 72.1 t -55.28 -40.63 57.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.117 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 3.2 t -47.72 -37.16 12.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.074 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . 0.479 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -77.38 -34.38 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.111 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -70.9 -49.81 41.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.228 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . 0.482 HG23 ' N ' ' A' ' 196' ' ' ALA . 10.7 tp -66.02 -40.05 86.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.244 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . 0.482 ' N ' HG23 ' A' ' 195' ' ' ILE . . . -56.69 -38.29 72.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.335 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -69.83 -22.44 63.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.395 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . 0.785 ' HB2' HD12 ' A' ' 31' ' ' LEU . . . -74.38 -35.94 63.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.451 -179.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -62.65 -49.47 75.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.372 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 42.1 tp -68.84 -52.99 24.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.539 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 26.0 m -52.69 -41.59 64.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.565 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 15.8 tp . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.031 -0.985 . . . . 1.0 110.609 179.815 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.411 HD21 ' CD1' ' A' ' 195' ' ' ILE . 48.4 tp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.882 0.372 . . . . 1.0 110.572 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -53.26 -34.32 56.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.579 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -76.4 -50.84 13.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.567 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.531 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.5 mp -53.4 -47.48 58.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.493 -178.114 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 87.0 mt -66.96 -27.08 67.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.657 -177.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -34.86 61.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.62 177.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.69 -27.22 29.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.662 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.6 p -68.67 -50.57 50.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.671 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.474 HG13 ' N ' ' A' ' 40' ' ' GLU . 9.3 p -56.39 -39.92 63.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.673 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.474 ' N ' HG13 ' A' ' 39' ' ' VAL . 91.8 mt-10 -73.56 -40.47 63.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.56 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -61.44 -51.79 67.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.512 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.9 t -58.89 -49.52 82.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.468 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.547 ' O ' ' N ' ' A' ' 47' ' ' GLY . 38.7 ttp180 -47.52 -43.82 25.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.515 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.64 -37.11 77.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.549 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -76.04 -50.75 13.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.548 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.55 ' O ' ' N ' ' A' ' 48' ' ' THR . 39.0 mt -80.16 -0.43 35.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.507 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.547 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.72 22.13 0.05 OUTLIER Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 178.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.686 HG22 ' H ' ' A' ' 50' ' ' ARG . 1.3 m -75.26 138.06 41.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.818 0.342 . . . . 1.0 110.598 179.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.51 ' OD2' ' NH2' ' A' ' 73' ' ' ARG . 53.8 p30 -73.02 -15.51 61.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.596 -176.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.686 ' H ' HG22 ' A' ' 48' ' ' THR . 44.8 ttp180 -150.49 116.99 5.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.966 0.412 . . . . 1.0 110.985 -179.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 167' ' ' VAL . 9.3 p -148.58 135.84 13.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.843 -0.617 . . . . 1.0 109.885 177.005 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -144.35 162.3 36.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.114 0.483 . . . . 1.0 111.233 -178.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.416 HG22 ' CD1' ' A' ' 166' ' ' LEU . 63.2 t -101.19 136.31 33.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.703 -0.681 . . . . 1.0 109.898 178.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.405 ' CZ ' ' HA3' ' A' ' 62' ' ' GLY . 32.2 t80 -118.81 117.83 29.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.932 0.396 . . . . 1.0 111.202 -178.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.0 mtp85 -95.33 162.06 13.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.968 -0.56 . . . . 1.0 109.912 179.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -129.17 143.71 50.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.895 0.378 . . . . 1.0 110.906 -178.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -114.75 133.53 22.56 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.283 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -44.88 -24.59 1.28 Allowed 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.71 2.273 . . . . 1.0 112.053 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -78.32 -6.43 55.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.472 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.5 19.48 35.02 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.761 -0.936 . . . . 1.0 110.761 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -113.32 137.81 50.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.865 0.364 . . . . 1.0 110.726 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.405 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -128.87 149.92 18.6 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.668 -0.973 . . . . 1.0 110.668 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.477 HG22 HG22 ' A' ' 81' ' ' THR . 1.7 p -134.81 155.64 50.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 1.0 110.733 -178.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.461 HG12 HD12 ' A' ' 78' ' ' LEU . 10.9 t -97.55 111.83 28.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.223 175.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 65' ' ' VAL . 9.5 p -102.39 -2.65 9.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.808 -175.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -157.34 146.73 20.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.909 0.385 . . . . 1.0 110.897 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -168.63 126.83 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.268 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -132.53 151.62 51.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.795 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.527 ' O ' ' NH1' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -136.7 143.94 43.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.418 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.45 3.38 79.05 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.833 -0.907 . . . . 1.0 110.833 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -159.63 -114.88 0.38 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.781 -0.928 . . . . 1.0 110.781 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 179.98 44.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.831 0.348 . . . . 1.0 110.594 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.713 ' NH2' ' H ' ' A' ' 171' ' ' ALA . 40.8 ttp180 -78.27 -57.46 3.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.523 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 40.3 mt -92.46 146.67 32.9 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.545 177.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -66.53 168.39 16.59 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.74 2.294 . . . . 1.0 112.059 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 54.9 p -90.17 140.92 29.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.72 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.484 ' O ' ' C ' ' A' ' 78' ' ' LEU . 43.2 mt -116.38 -19.87 9.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.466 -179.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.484 ' C ' ' O ' ' A' ' 77' ' ' LEU . 23.2 tp -34.03 140.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.491 -177.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.5 -0.65 71.27 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.81 -0.916 . . . . 1.0 110.81 178.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.3 mt -97.64 134.0 41.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.793 0.33 . . . . 1.0 110.514 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.477 HG22 HG22 ' A' ' 63' ' ' THR . 1.1 p -97.71 124.87 42.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.656 177.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -100.82 146.05 31.44 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.499 -178.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.4 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 76.5 Cg_endo -79.31 145.16 18.75 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.89 2.393 . . . . 1.0 112.18 178.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.87 -33.94 75.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.591 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.87 -22.8 6.36 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.021 -0.832 . . . . 1.0 111.021 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 87' ' ' ILE . 38.6 p-10 -58.62 -33.03 69.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 1.0 110.587 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.527 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 83.4 mt -119.27 102.42 48.44 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.442 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.496 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 81.4 Cg_exo -43.5 -108.69 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.82 2.347 . . . . 1.0 112.157 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.496 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 85.0 tt0 -166.35 -42.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.575 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -53.56 -36.8 62.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.531 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.24 -38.95 86.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.622 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.505 HH21 HD22 ' A' ' 162' ' ' LEU . 83.8 mtp180 -70.38 -26.58 63.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.553 -178.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -56.71 -54.57 44.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.518 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.637 HD12 ' N ' ' A' ' 94' ' ' LEU . 9.1 mp -54.77 -38.03 66.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.522 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -59.97 -31.64 70.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.698 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -88.63 -19.92 25.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.706 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 10.4 mt -102.79 -47.21 4.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.202 -177.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.575 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -99.73 -17.86 17.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.393 -175.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.477 ' C ' ' O ' ' A' ' 98' ' ' ALA . 89.3 mt-30 35.43 64.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.369 178.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.55 ' CG2' HH12 ' A' ' 133' ' ' ARG . 16.1 t -111.08 -48.16 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.845 177.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.562 HH21 HG13 ' A' ' 154' ' ' VAL . 0.0 OUTLIER 54.12 64.75 1.72 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.289 175.062 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.593 ' C ' HD12 ' A' ' 103' ' ' ILE . 8.0 p -147.81 124.56 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.637 179.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.593 HD12 ' C ' ' A' ' 102' ' ' VAL . 1.7 mp -108.04 131.38 58.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.713 177.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 10.6 m -82.21 168.69 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.369 -178.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.435 ' C ' ' H ' ' A' ' 107' ' ' GLU . 10.6 m-20 -55.2 119.47 5.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.462 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.6 p -51.46 -11.93 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.571 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.733 ' C ' ' H ' ' A' ' 109' ' ' GLN . 7.1 pt-20 -98.02 -26.32 14.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.328 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 105' ' ' ASP . . . -60.86 23.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.343 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.733 ' H ' ' C ' ' A' ' 107' ' ' GLU . 40.7 tp60 74.65 50.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.004 -0.543 . . . . 1.0 110.677 177.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.33 114.83 24.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.457 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -150.24 108.73 3.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.809 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.581 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 18.1 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.17 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.713 0.292 . . . . 1.0 110.495 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.55 HH12 ' CG2' ' A' ' 100' ' ' VAL . 3.9 mmt85 -121.19 83.78 39.44 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.641 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.447 ' C ' ' OG ' ' A' ' 112' ' ' SER . 51.0 Cg_exo -51.7 144.49 33.94 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.764 2.31 . . . . 1.0 111.928 -179.227 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.614 HG21 ' CD2' ' A' ' 139' ' ' HIS . 24.5 m -105.1 160.91 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.564 -178.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.581 ' HA ' ' H ' ' A' ' 112' ' ' SER . 0.0 OUTLIER -94.39 161.24 29.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.433 -179.72 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -53.03 -23.96 23.45 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.874 2.382 . . . . 1.0 111.912 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . 0.531 ' SG ' ' N ' ' A' ' 139' ' ' HIS . 0.1 OUTLIER -68.77 -40.69 79.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.423 178.526 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.678 ' CD2' ' C ' ' A' ' 139' ' ' HIS . 0.1 OUTLIER -81.45 -26.32 35.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.268 179.499 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 38.3 t -50.54 -54.04 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.477 178.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -63.49 -40.08 96.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.438 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -45.26 -54.39 7.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.464 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 143' ' ' LEU . 21.8 mt -70.95 -50.86 29.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.34 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -55.9 -42.23 75.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.437 -178.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 21.9 t -54.19 -26.4 27.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.569 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 52.6 mtt -94.25 -2.54 52.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.531 177.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 70.05 24.25 76.63 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.931 -0.868 . . . . 1.0 110.931 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 148' ' ' VAL . 6.4 p -110.88 123.57 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.341 . . . . 1.0 110.684 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -94.83 -19.05 20.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.278 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.432 ' O ' HG22 ' A' ' 148' ' ' VAL . 37.2 t -110.34 138.69 46.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.061 -178.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.464 ' OG ' HG21 ' A' ' 103' ' ' ILE . 5.2 p -145.43 120.75 10.25 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.698 -0.401 . . . . 1.0 111.081 179.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 16.8 tp -120.42 136.58 54.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 1.0 109.999 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.434 HG23 ' C ' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -120.11 149.06 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.012 0.434 . . . . 1.0 111.22 -178.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.562 HG13 HH21 ' A' ' 101' ' ' ARG . 0.9 OUTLIER -151.24 77.32 7.5 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.719 -0.673 . . . . 1.0 109.948 -179.062 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' PRO . . . . . 0.403 ' HD2' ' NE ' ' A' ' 101' ' ' ARG . 28.9 Cg_endo -61.15 156.92 42.26 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.987 2.458 . . . . 1.0 112.691 -175.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 35.2 mt -118.69 94.21 4.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.256 178.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 18.1 ptm -108.75 135.7 49.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.781 -177.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . 0.507 ' O ' ' HB3' ' A' ' 159' ' ' HIS . 55.3 t60 -120.45 122.9 41.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.44 177.136 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.507 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 62.6 t60 78.47 -117.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.365 -177.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -121.51 7.85 10.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.45 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.538 ' C ' HD12 ' A' ' 162' ' ' LEU . 12.0 mt-10 -118.02 162.16 18.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.558 -177.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.549 HD12 ' N ' ' A' ' 162' ' ' LEU . 10.8 mp -105.46 126.3 51.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.417 177.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' TRP . . . . . 0.443 ' NE1' ' HB3' ' A' ' 158' ' ' HIS . 97.7 m95 -102.87 -37.29 7.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.881 -176.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -148.94 177.95 26.83 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.196 -0.761 . . . . 1.0 111.196 -177.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 33.5 tp -144.72 131.37 19.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.76 0.314 . . . . 1.0 110.418 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.416 ' CD1' HG22 ' A' ' 53' ' ' VAL . 7.7 tp -102.77 148.8 25.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.593 179.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . 0.492 ' O ' HG23 ' A' ' 51' ' ' VAL . 4.6 p -152.57 137.47 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.76 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.17 140.21 52.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.353 178.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' HIS . . . . . 0.483 ' O ' ' OD1' ' A' ' 49' ' ' ASP . 98.5 m-70 -135.12 134.12 39.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.746 -179.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . 0.509 ' O ' HG23 ' A' ' 148' ' ' VAL . 2.4 p80 -170.1 168.13 8.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.519 -179.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.713 ' H ' ' NH2' ' A' ' 73' ' ' ARG . . . -56.65 -170.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.578 179.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -118.69 80.36 17.26 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.601 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -84.73 -59.16 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.893 2.395 . . . . 1.0 112.086 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 2.9 ptp85 -142.51 152.65 60.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.573 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.12 176.25 4.05 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.854 2.369 . . . . 1.0 112.029 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 176' ' ' TYR . . . . . 0.414 ' CD1' ' O ' ' A' ' 176' ' ' TYR . 20.3 p90 -115.59 137.48 52.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.625 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 26.2 t -90.23 143.92 26.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.558 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 178' ' ' GLN . . . . . 0.489 ' CD ' ' H ' ' A' ' 178' ' ' GLN . 27.5 mp0 -63.93 -32.77 74.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.509 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.11 -45.74 91.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.496 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -72.77 -30.92 64.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.417 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 29.6 tp -56.89 -37.08 70.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.432 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -68.99 -51.21 41.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.33 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 57.2 t -43.08 -49.34 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.168 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . 0.416 HG11 HD21 ' A' ' 46' ' ' LEU . 27.2 m -75.4 -34.64 30.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.172 -179.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -48.86 -39.88 27.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.11 177.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 53.1 mt -74.04 -33.0 63.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.038 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 30.4 tp -56.8 -32.2 65.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.101 179.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -74.91 -39.15 61.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.083 178.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -55.29 -39.71 70.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.158 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -54.26 -53.81 48.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.118 178.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 44.0 t -55.31 -41.79 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.141 178.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 3.9 t -48.56 -32.14 7.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.01 179.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 64.9 mt -80.44 -34.28 14.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.159 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -70.21 -46.52 64.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.266 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . 0.506 HG23 ' N ' ' A' ' 196' ' ' ALA . 8.3 tp -64.21 -42.1 94.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.255 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . 0.506 ' N ' HG23 ' A' ' 195' ' ' ILE . . . -67.43 -53.68 26.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.346 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -60.25 -24.54 64.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.373 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -74.39 -37.57 63.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.462 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -55.0 -38.8 68.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.481 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 40.1 tp -62.45 -57.41 11.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.478 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 29.4 m -52.85 -41.93 64.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.534 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 44.6 mt . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 117.951 -1.023 . . . . 1.0 110.564 179.56 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.0 mt . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.774 0.321 . . . . 1.0 110.51 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.451 ' OD1' HG11 ' A' ' 65' ' ' VAL . 65.9 m-20 -72.67 -33.56 66.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.562 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -76.85 -55.0 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.512 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.532 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.5 mp -51.02 -54.6 9.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.638 -178.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.0 mt -58.44 -31.85 68.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.638 -177.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.531 ' HE ' ' C ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -50.3 -40.23 47.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.607 179.521 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.27 -26.16 42.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.659 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.2 p -71.49 -43.26 66.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.592 178.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.548 HG21 ' CB ' ' A' ' 66' ' ' ALA . 81.1 t -58.63 -40.68 79.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.688 179.016 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -72.13 -41.69 66.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.602 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -60.62 -45.55 93.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.429 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.477 ' CG1' HD12 ' A' ' 46' ' ' LEU . 55.7 t -63.91 -47.46 90.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.555 179.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.521 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.8 OUTLIER -48.05 -44.75 31.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.548 179.667 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.07 -38.15 85.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.498 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -76.7 -52.3 9.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.583 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.477 HD12 ' CG1' ' A' ' 42' ' ' VAL . 95.9 mt -80.23 -3.76 50.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.626 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 41.78 67.2 0.86 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.976 -0.85 . . . . 1.0 110.976 178.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.5 136.26 53.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.817 0.342 . . . . 1.0 110.543 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.542 ' OD2' ' NE ' ' A' ' 73' ' ' ARG . 24.0 p30 -70.74 -14.13 62.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.593 -177.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.541 ' NH1' ' OE2' ' A' ' 67' ' ' GLU . 57.6 ttm-85 -155.81 116.73 3.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.98 0.419 . . . . 1.0 111.008 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.0 p -151.66 138.28 12.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.818 -0.628 . . . . 1.0 109.799 176.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -146.98 162.6 38.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.103 0.478 . . . . 1.0 111.237 -177.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.7 p -101.46 137.16 30.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.694 -0.684 . . . . 1.0 109.899 177.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.4 ' CZ ' ' HA3' ' A' ' 62' ' ' GLY . 14.8 t80 -120.3 118.81 31.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.911 0.386 . . . . 1.0 111.201 -177.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -94.74 164.21 13.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.001 -0.545 . . . . 1.0 109.836 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.544 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 77.4 t80 -130.37 146.89 52.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.94 0.4 . . . . 1.0 110.903 -178.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.544 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 23.4 m-20 -116.43 147.68 40.15 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.249 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.99 -24.9 75.5 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.805 2.337 . . . . 1.0 112.083 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.3 mp0 -77.05 -6.87 54.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.34 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.87 23.82 19.4 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.786 -0.925 . . . . 1.0 110.786 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.429 ' O ' ' N ' ' A' ' 57' ' ' ASP . 93.0 m-70 -119.19 140.92 49.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 1.0 110.738 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.695 ' O ' HG23 ' A' ' 81' ' ' THR . . . -133.36 153.97 21.02 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.708 -0.957 . . . . 1.0 110.708 179.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 21.8 p -138.24 159.14 42.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.892 0.377 . . . . 1.0 110.712 -177.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.496 HG12 HD12 ' A' ' 78' ' ' LEU . 5.5 t -100.22 113.2 35.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.198 175.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.451 HG11 ' OD1' ' A' ' 32' ' ' ASP . 29.2 m -101.53 1.91 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.844 -175.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.548 ' CB ' HG21 ' A' ' 39' ' ' VAL . . . -162.34 151.62 15.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.949 0.404 . . . . 1.0 110.864 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.541 ' OE2' ' NH1' ' A' ' 50' ' ' ARG . 71.7 tt0 -166.35 126.23 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.202 -179.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -125.95 145.75 50.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.82 179.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.471 ' H ' ' HD2' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -143.45 151.23 40.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.48 -179.266 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -100.01 -55.76 0.98 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.876 -0.889 . . . . 1.0 110.876 178.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.85 -131.55 4.51 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.726 -0.949 . . . . 1.0 110.726 178.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -172.74 59.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.807 0.337 . . . . 1.0 110.547 178.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.615 HH12 ' HB2' ' A' ' 171' ' ' ALA . 17.2 ptp180 -91.8 -16.64 26.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.451 177.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.52 ' HB2' ' HE ' ' A' ' 50' ' ' ARG . 12.2 mt -132.23 151.81 79.02 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.466 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.531 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 49.8 Cg_endo -71.98 172.36 14.81 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.79 2.327 . . . . 1.0 112.094 179.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.8 t -84.23 115.76 22.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.67 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.5 ' O ' ' C ' ' A' ' 78' ' ' LEU . 36.9 mt -90.21 -25.42 20.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.494 -178.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.5 ' C ' ' O ' ' A' ' 77' ' ' LEU . 6.3 tp -32.79 139.01 0.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.589 -178.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.28 0.02 68.14 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.844 -0.902 . . . . 1.0 110.844 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 mt -92.0 129.59 37.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.79 0.329 . . . . 1.0 110.561 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.695 HG23 ' O ' ' A' ' 62' ' ' GLY . 23.6 m -94.68 120.47 34.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.663 177.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.429 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 15.9 m-85 -98.01 144.02 27.28 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.498 -178.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.405 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 71.8 Cg_endo -78.91 140.37 16.07 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.797 2.331 . . . . 1.0 112.187 178.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.37 -34.33 66.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.718 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -51.44 -23.09 8.54 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.003 -0.839 . . . . 1.0 111.003 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.543 ' OD1' ' N ' ' A' ' 87' ' ' ILE . 40.5 p-10 -59.53 -29.58 67.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.803 0.335 . . . . 1.0 110.599 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.561 ' O ' ' O ' ' A' ' 88' ' ' PRO . 95.7 mt -118.92 99.31 51.13 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.467 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.561 ' O ' ' O ' ' A' ' 87' ' ' ILE . 88.0 Cg_exo -45.59 -116.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.872 2.381 . . . . 1.0 112.146 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.431 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 42.5 tp10 -156.97 -58.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.518 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -45.12 -37.45 4.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.592 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.524 ' HB1' HH22 ' A' ' 133' ' ' ARG . . . -69.5 -51.23 37.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.561 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -55.64 -25.61 40.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.545 -178.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -63.22 -49.67 73.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.528 -178.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' A' ' 98' ' ' ALA . 57.3 mt -47.8 -50.93 24.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.459 -178.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -56.86 -27.26 60.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.689 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -87.64 -21.62 25.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.621 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.6 mp -104.06 -49.66 3.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.232 -177.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.567 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -96.09 -15.6 22.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.413 -175.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.503 ' C ' ' O ' ' A' ' 98' ' ' ALA . 89.1 mt-30 33.22 62.14 0.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.348 178.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.63 HG23 ' N ' ' A' ' 101' ' ' ARG . 22.7 m -110.55 -48.89 6.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.87 177.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.63 ' N ' HG23 ' A' ' 100' ' ' VAL . 0.4 OUTLIER 55.14 67.06 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.252 174.079 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.627 ' C ' HD12 ' A' ' 103' ' ' ILE . 12.7 p -148.04 126.85 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.614 179.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.715 HD12 ' N ' ' A' ' 103' ' ' ILE . 2.6 mp -112.95 136.06 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.667 178.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.686 HG12 ' N ' ' A' ' 105' ' ' ASP . 46.1 t -84.62 170.52 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.303 -178.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.686 ' N ' HG12 ' A' ' 104' ' ' VAL . 82.2 m-20 -49.99 120.81 4.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.42 -179.185 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 15.1 m -56.52 -6.96 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.579 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.436 ' H ' ' C ' ' A' ' 105' ' ' ASP . 1.7 pp20? -77.92 -33.17 51.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.339 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.27 -14.58 27.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.337 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 48.91 61.0 3.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.738 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.2 m -86.63 139.93 30.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.437 175.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 71.7 mtm-85 -121.79 131.93 54.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.839 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.446 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 5.7 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.186 177.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.74 0.305 . . . . 1.0 110.455 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.524 HH22 ' HB1' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -130.54 115.99 17.25 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.658 -179.36 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -80.27 144.66 16.52 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.781 2.32 . . . . 1.0 111.965 178.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.445 HG21 ' ND1' ' A' ' 139' ' ' HIS . 23.6 m -127.59 135.11 64.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.544 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.446 ' HA ' ' H ' ' A' ' 112' ' ' SER . 0.3 OUTLIER -46.87 160.12 0.34 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.478 179.481 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.93 -12.59 2.1 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.861 2.374 . . . . 1.0 111.884 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -47.61 85.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.395 179.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.744 ' CE1' HD22 ' A' ' 143' ' ' LEU . 1.3 t-80 -82.56 -27.73 31.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.292 -177.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 88.5 t -54.7 -63.12 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.493 -179.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -64.58 -45.03 88.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.429 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -43.98 -44.96 7.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.501 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.744 HD22 ' CE1' ' A' ' 139' ' ' HIS . 1.8 mp -72.05 -48.52 43.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.383 178.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -54.33 -42.51 70.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.446 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.5 m -53.21 -25.24 13.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.547 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 37.7 mtt -93.03 -3.06 55.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.409 178.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 69.74 23.72 76.66 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 148' ' ' VAL . 5.4 p -109.99 123.59 66.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.78 0.324 . . . . 1.0 110.659 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -94.53 -25.85 16.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.243 -179.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 32.3 t -103.43 138.02 40.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.099 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.687 ' HB3' HD21 ' A' ' 143' ' ' LEU . 0.0 OUTLIER -143.29 118.93 10.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.941 0.4 . . . . 1.0 111.04 179.622 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 59.1 tp -116.78 133.82 55.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.02 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.437 HG23 ' HB3' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -118.96 152.05 21.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.117 0.484 . . . . 1.0 111.213 -178.596 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 188' ' ' ALA . 66.9 t -152.41 75.18 7.24 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 115.724 -0.671 . . . . 1.0 109.924 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -53.63 151.06 26.09 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.897 2.398 . . . . 1.0 112.669 -176.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 42.1 mt -117.63 96.35 5.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.833 -0.621 . . . . 1.0 110.21 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 19.7 ptm -118.14 137.89 52.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.775 -178.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . 0.627 ' ND1' ' CD2' ' A' ' 159' ' ' HIS . 6.9 t-80 -117.59 135.08 54.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.376 177.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.627 ' CD2' ' ND1' ' A' ' 158' ' ' HIS . 84.8 m-70 65.76 -115.7 0.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.311 -178.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -119.57 4.55 11.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.448 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -117.11 165.39 13.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.518 . . . . 1.0 110.616 -177.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 19.5 tp -107.4 122.49 46.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.474 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -99.89 -37.19 9.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.882 -177.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -150.59 -178.39 25.41 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.196 -0.762 . . . . 1.0 111.196 -178.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.2 tp -147.14 144.73 29.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.772 0.32 . . . . 1.0 110.412 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 166' ' ' LEU . 13.9 tp -117.7 141.93 47.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.586 178.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 20.6 t -148.57 133.96 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.702 -177.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 16.9 m -118.25 145.67 44.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.383 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' HIS . . . . . 0.651 ' ND1' ' N ' ' A' ' 169' ' ' HIS . 0.0 OUTLIER -140.8 133.64 29.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.776 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . 0.724 ' CD2' ' N ' ' A' ' 171' ' ' ALA . 21.1 t60 -169.93 163.73 9.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.506 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.724 ' N ' ' CD2' ' A' ' 170' ' ' HIS . . . -52.01 -171.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.596 178.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -121.78 79.29 40.14 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.651 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -83.83 -48.14 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.848 2.365 . . . . 1.0 112.107 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 76.2 mtm180 -146.37 151.84 44.75 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.494 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -68.26 176.25 5.79 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.807 2.338 . . . . 1.0 112.091 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 176' ' ' TYR . . . . . 0.482 ' OH ' ' CG2' ' A' ' 102' ' ' VAL . 21.3 p90 -117.34 135.84 53.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.611 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 54.3 p -86.01 143.54 28.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.535 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 178' ' ' GLN . . . . . 0.453 ' CD ' ' H ' ' A' ' 178' ' ' GLN . 27.4 mp0 -67.06 -36.9 83.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.497 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -58.89 -47.35 85.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.494 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.93 -32.96 70.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.459 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 25.3 tp -56.03 -45.44 79.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.406 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 185' ' ' GLN . 26.1 mt-30 -60.11 -53.03 62.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.285 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 81.0 t -42.1 -42.74 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.132 178.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . 0.426 HG21 HD21 ' A' ' 46' ' ' LEU . 85.2 t -74.5 -37.6 44.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.176 179.223 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 182' ' ' GLN . 61.2 tt0 -48.47 -39.18 22.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.048 178.183 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 27.8 tp -72.06 -34.02 68.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.049 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 22.4 tp -56.38 -30.53 62.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.128 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . 0.473 ' HB2' ' CG1' ' A' ' 154' ' ' VAL . . . -71.97 -38.04 69.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.095 178.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -56.48 -40.95 75.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.163 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -53.46 -55.59 24.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.138 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 84.3 t -56.84 -41.71 76.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.089 178.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 3.8 t -49.44 -34.5 16.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.179 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.5 mp -78.97 -33.98 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.15 178.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -70.85 -46.91 61.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.245 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 2.7 tp -65.28 -33.82 66.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.28 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . 0.501 ' HB2' ' CD2' ' A' ' 158' ' ' HIS . . . -74.45 -54.99 6.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.3 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -62.14 -26.06 68.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.386 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -73.43 -39.58 64.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.413 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -53.28 -36.77 61.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.366 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 40.5 tp -64.58 -56.68 12.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.523 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 19.3 m -63.63 -50.11 70.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.531 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 31.4 mt . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.025 -0.988 . . . . 1.0 110.499 -179.903 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 tp . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.785 0.326 . . . . 1.0 110.518 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -54.24 -48.75 70.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.536 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -61.08 -46.08 92.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.582 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.593 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.4 mp -64.87 -32.07 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.626 -178.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.456 ' O ' HG22 ' A' ' 38' ' ' THR . 81.3 mt -78.61 -20.88 49.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.647 -178.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.571 ' O ' HG12 ' A' ' 39' ' ' VAL . 72.7 mtp180 -76.35 -33.3 58.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.615 178.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.91 -31.16 25.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.568 -178.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.536 ' CG2' ' N ' ' A' ' 39' ' ' VAL . 3.5 t -70.83 -44.34 66.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.596 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.571 HG12 ' O ' ' A' ' 36' ' ' ARG . 5.1 p -55.21 -36.67 40.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.698 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -74.96 -34.77 62.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.559 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -66.24 -47.99 72.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.556 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.8 t -61.67 -54.39 35.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.544 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.553 ' O ' ' N ' ' A' ' 47' ' ' GLY . 4.9 tmm_? -47.77 -40.96 22.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.552 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.33 -37.67 81.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.581 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -76.53 -49.22 17.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.577 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.589 ' O ' ' N ' ' A' ' 48' ' ' THR . 10.9 mt -79.0 -3.39 44.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.542 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.553 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.41 20.32 0.03 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.589 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.5 m -71.89 139.41 48.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.872 0.368 . . . . 1.0 110.534 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.522 ' OD2' ' NH1' ' A' ' 73' ' ' ARG . 80.2 m-20 -48.21 -47.89 35.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.517 . . . . 1.0 110.605 -177.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.403 ' H ' HG22 ' A' ' 48' ' ' THR . 19.7 mtp-105 -138.22 132.32 31.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.001 0.429 . . . . 1.0 110.974 -176.098 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 t -142.96 131.72 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.86 -0.609 . . . . 1.0 109.753 176.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.1 pttt -142.66 157.3 44.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.099 0.476 . . . . 1.0 111.207 -178.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.778 HG12 ' HB3' ' A' ' 66' ' ' ALA . 9.9 p -102.97 139.74 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.66 -0.7 . . . . 1.0 109.873 177.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -122.88 120.12 32.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 1.0 111.182 -177.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.461 ' HG3' ' H ' ' A' ' 56' ' ' PHE . 4.7 tpt180 -95.85 162.74 13.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.999 -0.546 . . . . 1.0 109.898 179.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.535 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 85.5 t80 -129.81 145.02 51.58 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.722 -0.391 . . . . 1.0 110.903 -178.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.535 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 24.8 m-20 -114.05 148.42 39.97 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.281 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.61 -23.87 76.92 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.685 2.257 . . . . 1.0 112.05 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -78.27 -4.93 50.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.36 -179.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 84' ' ' ALA . . . 93.33 21.52 29.44 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.766 -0.933 . . . . 1.0 110.766 179.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.404 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 90.7 m-70 -116.81 140.29 49.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.803 0.335 . . . . 1.0 110.715 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -132.8 154.88 21.33 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.572 -1.011 . . . . 1.0 110.572 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 76.4 p -139.1 158.26 44.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.745 0.307 . . . . 1.0 110.763 -178.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.1 t -101.57 117.04 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.181 176.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.6 m -106.88 1.89 10.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.817 -176.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.778 ' HB3' HG12 ' A' ' 53' ' ' VAL . . . -158.09 148.66 20.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.935 0.398 . . . . 1.0 110.895 -179.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -166.68 127.19 1.61 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.261 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -122.64 120.38 33.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 1.0 110.763 178.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.508 ' HA ' ' O ' ' A' ' 49' ' ' ASP . 42.9 ptt85 -112.04 143.09 43.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.495 -178.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -94.7 -78.94 1.43 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.867 -0.893 . . . . 1.0 110.867 179.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.44 -117.58 0.53 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.776 -0.93 . . . . 1.0 110.776 178.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -179.3 50.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.831 0.348 . . . . 1.0 110.593 178.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.522 ' NH1' ' OD2' ' A' ' 49' ' ' ASP . 3.1 ptp85 -85.75 -16.46 38.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.514 177.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.9 mt -138.4 149.29 62.52 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.512 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.81 173.16 8.51 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.758 2.305 . . . . 1.0 112.139 -178.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.3 t -94.59 135.69 35.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.753 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.1 mt -106.82 0.85 24.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.497 -179.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 68.9 tp -55.6 137.09 49.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.545 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.51 0.53 79.24 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.876 -0.89 . . . . 1.0 110.876 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.2 tp -90.5 130.57 36.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.768 0.318 . . . . 1.0 110.551 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 81' ' ' THR . 10.1 t -100.83 129.35 46.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.635 177.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -96.88 143.35 25.96 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.565 -178.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -80.96 145.51 15.7 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.757 2.305 . . . . 1.0 112.182 178.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 60' ' ' GLY . . . -55.7 -43.81 76.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.616 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.6 -24.31 7.55 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -52.72 -21.2 3.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 1.0 110.593 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.602 ' CD1' HH21 ' A' ' 92' ' ' ARG . 26.9 pt -135.39 144.6 50.24 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.472 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.52 -99.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.838 2.359 . . . . 1.0 112.162 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -166.1 -45.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.603 179.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -51.19 -38.28 51.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.568 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.93 -49.2 54.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.616 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.602 HH21 ' CD1' ' A' ' 87' ' ' ILE . 32.0 ttm180 -58.2 -31.56 67.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.58 -178.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -54.25 -44.86 72.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.467 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.654 ' O ' ' N ' ' A' ' 98' ' ' ALA . 8.8 mp -52.26 -37.9 56.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.503 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.571 ' CG ' ' HD2' ' A' ' 101' ' ' ARG . 13.0 m-85 -58.27 -21.1 47.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.713 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.573 ' C ' HD12 ' A' ' 97' ' ' LEU . 53.5 mtp85 -95.03 -33.99 12.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.726 -177.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.651 HD12 ' N ' ' A' ' 97' ' ' LEU . 9.0 mp -105.98 -37.71 6.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.197 -176.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.654 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -84.36 -35.05 23.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.448 -176.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.617 ' NE2' ' SD ' ' A' ' 157' ' ' MET . 85.0 mt-30 33.68 58.0 0.55 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.444 ' H ' ' HE ' ' A' ' 101' ' ' ARG . 5.3 t -145.36 -50.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.809 178.22 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.814 ' H ' ' NE ' ' A' ' 101' ' ' ARG . 4.1 mmp_? 50.44 98.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.29 174.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.517 ' C ' HD12 ' A' ' 103' ' ' ILE . 69.9 t -153.42 124.29 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.597 177.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.613 HD12 ' N ' ' A' ' 103' ' ' ILE . 1.7 mp -101.2 132.21 47.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.729 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.609 HG12 ' H ' ' A' ' 105' ' ' ASP . 4.8 t -85.15 170.82 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.298 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.609 ' H ' HG12 ' A' ' 104' ' ' VAL . 0.6 OUTLIER -60.67 116.95 4.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.466 -178.755 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 149' ' ' ALA . 0.8 OUTLIER -52.05 -12.23 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.571 179.712 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.704 ' C ' ' H ' ' A' ' 109' ' ' GLN . 3.9 pt-20 -92.34 -28.2 17.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.263 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.5 ' O ' ' HB2' ' A' ' 109' ' ' GLN . . . -62.17 21.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.35 178.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.704 ' H ' ' C ' ' A' ' 107' ' ' GLU . 79.8 mt-30 74.28 48.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.683 178.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.6 t -87.49 119.87 28.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.374 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -155.29 110.37 3.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.458 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 39.3 t . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 115.993 -0.548 . . . . 1.0 110.22 179.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.871 0.367 . . . . 1.0 110.42 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.592 HH21 ' NH1' ' A' ' 101' ' ' ARG . 8.4 ttm180 -133.62 94.18 19.79 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.698 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -48.78 147.06 10.45 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.81 2.34 . . . . 1.0 111.94 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.682 HG11 ' CE1' ' A' ' 139' ' ' HIS . 21.2 m -98.89 152.03 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.486 -178.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 136' ' ' ASP . 0.3 OUTLIER -94.82 154.82 39.77 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.482 179.482 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -43.87 -32.13 4.15 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.839 2.359 . . . . 1.0 111.886 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -73.71 -30.9 63.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.348 178.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.682 ' CE1' HG11 ' A' ' 135' ' ' VAL . 5.6 t-80 -86.48 -34.59 20.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.274 177.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 79.1 t -48.26 -45.84 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.505 178.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.516 ' O ' ' N ' ' A' ' 145' ' ' SER . 84.4 t60 -68.17 -40.86 82.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.44 178.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -47.79 -59.42 3.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.486 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.492 HD13 ' CE1' ' A' ' 139' ' ' HIS . 0.5 OUTLIER -68.28 -49.96 56.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.441 -179.29 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -56.01 -40.81 73.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.491 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 141' ' ' HIS . 33.8 t -52.72 -29.51 27.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.509 178.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 46.6 mtt -87.77 -1.03 57.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.409 178.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 72.77 22.42 79.06 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.453 HG13 ' H ' ' A' ' 170' ' ' HIS . 23.8 t -105.49 113.64 42.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.777 0.322 . . . . 1.0 110.729 179.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . 0.434 ' O ' HG13 ' A' ' 106' ' ' VAL . . . -79.24 -26.86 42.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.275 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.512 ' O ' ' CD2' ' A' ' 170' ' ' HIS . 29.5 t -148.4 116.66 6.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.161 -179.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 12.1 t -108.25 133.31 52.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 1.0 111.053 178.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 36.3 tp -97.63 126.43 42.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.01 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -122.19 154.91 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.044 0.45 . . . . 1.0 111.158 -179.019 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.413 ' CG2' ' C ' ' A' ' 153' ' ' VAL . 0.9 OUTLIER -151.0 111.47 3.09 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.646 -0.706 . . . . 1.0 109.927 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -72.57 131.26 17.14 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.944 2.429 . . . . 1.0 112.688 -172.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 16.9 mt -103.5 94.63 5.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.16 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.617 ' SD ' ' NE2' ' A' ' 99' ' ' GLN . 16.2 ptm -116.06 136.31 53.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.767 -177.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . 0.498 ' CE1' ' CB ' ' A' ' 196' ' ' ALA . 31.1 t60 -115.85 122.25 44.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.424 176.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.452 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 16.0 t60 71.25 -110.8 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.353 -177.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -121.96 3.23 9.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.423 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.481 ' CG ' ' N ' ' A' ' 162' ' ' LEU . 47.9 tt0 -115.03 159.17 21.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.551 -177.096 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.481 ' N ' ' CG ' ' A' ' 161' ' ' GLU . 11.3 mt -104.79 127.57 52.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.492 178.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -106.67 -41.17 5.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.872 -177.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -146.15 -179.92 22.69 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.209 -0.756 . . . . 1.0 111.209 -177.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 35.3 tp -149.63 135.86 19.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.693 0.282 . . . . 1.0 110.45 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 33.1 tp -100.47 142.89 31.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.578 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 10.8 p -148.03 138.44 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.715 -178.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.33 145.35 49.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.409 178.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -120.96 129.47 53.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.759 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . 0.512 ' CD2' ' O ' ' A' ' 150' ' ' SER . 4.6 p80 -166.99 161.09 14.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.502 179.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -65.06 -154.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.609 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . 0.43 ' OE2' ' OE1' ' A' ' 107' ' ' GLU . 4.2 pt-20 -120.9 80.52 33.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.581 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.94 -59.2 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.845 2.363 . . . . 1.0 112.068 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -154.93 151.74 23.86 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.459 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -49.42 168.57 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.789 2.326 . . . . 1.0 112.064 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -111.12 122.21 47.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.562 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 26.2 t -70.3 138.12 51.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.589 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -66.24 -35.32 80.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.481 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.32 -55.25 22.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.476 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -64.61 -31.47 72.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.358 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 26.5 tp -59.02 -41.43 87.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.447 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -59.14 -48.69 80.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.356 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 55.7 t -43.66 -50.09 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.149 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 187' ' ' LEU . 96.2 t -72.98 -39.33 57.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.188 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 -46.47 -38.95 9.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.068 178.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 27.2 tp -73.16 -34.23 65.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.027 178.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 184' ' ' VAL . 25.6 tp -56.1 -33.03 64.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.036 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -71.56 -35.17 70.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.106 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -59.14 -40.51 85.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.172 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -54.17 -56.33 19.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.208 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 92.5 t -55.58 -44.87 78.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.155 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 7.8 t -49.17 -33.98 13.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.153 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 69.1 mt -81.28 -36.31 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.157 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -64.72 -45.98 84.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.264 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 2.4 pp -68.1 -26.7 34.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.295 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . 0.498 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.12 -56.28 4.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.342 178.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -59.99 -25.34 65.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.356 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -74.15 -38.06 63.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.465 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -51.55 -37.23 48.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.387 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 41.4 mt -57.89 -57.55 12.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.476 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 84.1 p -50.51 -40.75 52.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.513 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 26.7 mt . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.988 -1.006 . . . . 1.0 110.618 179.68 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.796 0.331 . . . . 1.0 110.563 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.409 ' OD1' HG11 ' A' ' 65' ' ' VAL . 53.2 m-20 -55.71 -37.96 69.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.538 -179.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -74.13 -54.1 8.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.543 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.7 mm -53.05 -48.26 53.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.559 -178.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.3 mt -61.63 -28.0 69.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.616 -177.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.534 ' NH1' ' OE2' ' A' ' 40' ' ' GLU . 0.4 OUTLIER -55.31 -40.63 71.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.59 179.382 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.63 -29.51 51.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.639 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.4 p -66.66 -46.01 77.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.633 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.536 HG21 ' CB ' ' A' ' 66' ' ' ALA . 86.7 t -56.37 -38.89 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.698 178.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.534 ' OE2' ' NH1' ' A' ' 36' ' ' ARG . 98.1 mt-10 -75.38 -38.22 60.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.538 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.458 ' OE1' HD11 ' A' ' 187' ' ' LEU . 14.8 tm-20 -59.71 -48.24 82.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.508 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.468 ' CG1' HD12 ' A' ' 46' ' ' LEU . 78.9 t -63.2 -43.34 98.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.502 179.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 47' ' ' GLY . 54.4 ttp85 -47.85 -45.79 30.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.503 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.54 -40.76 95.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.567 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -72.61 -54.3 9.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.577 -178.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.592 ' O ' ' N ' ' A' ' 48' ' ' THR . 92.0 mt -78.75 0.85 25.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.58 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.34 20.44 0.03 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 178.042 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.592 ' N ' ' O ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -74.84 139.63 43.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 1.0 110.52 179.582 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 70' ' ' GLY . 89.7 m-20 -66.11 -29.96 70.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.678 -176.25 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.69 ' NE ' HH12 ' A' ' 69' ' ' ARG . 4.1 ttt180 -137.9 126.56 23.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.984 -175.401 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.499 ' CG1' HG21 ' A' ' 48' ' ' THR . 0.0 OUTLIER -148.89 132.15 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.858 -0.61 . . . . 1.0 109.784 175.89 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -144.14 153.12 41.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.929 0.395 . . . . 1.0 111.333 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.4 HG12 ' HB3' ' A' ' 66' ' ' ALA . 5.8 p -99.02 136.5 29.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.789 -0.641 . . . . 1.0 109.819 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.409 ' CZ ' ' HA3' ' A' ' 62' ' ' GLY . 19.5 t80 -118.48 118.88 32.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.892 0.377 . . . . 1.0 111.186 -178.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -94.45 162.35 13.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.0 -0.545 . . . . 1.0 109.941 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -130.41 144.85 51.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.936 0.398 . . . . 1.0 110.879 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.487 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 2.2 m-20 -115.86 136.25 22.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.248 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -46.05 -28.17 5.03 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.733 2.289 . . . . 1.0 112.103 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -74.9 -8.3 56.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.388 -178.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.25 21.13 23.43 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.817 -0.913 . . . . 1.0 110.817 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 57' ' ' ASP . 77.3 m80 -116.36 139.94 49.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.892 0.377 . . . . 1.0 110.697 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.409 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -130.92 152.05 19.81 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.589 -1.004 . . . . 1.0 110.589 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 81.8 p -136.24 156.56 48.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.766 0.317 . . . . 1.0 110.853 -178.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.6 t -100.72 115.22 41.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.282 176.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.409 HG11 ' OD1' ' A' ' 32' ' ' ASP . 29.9 m -104.38 2.46 10.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.787 -175.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.536 ' CB ' HG21 ' A' ' 39' ' ' VAL . . . -160.76 149.82 16.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.945 0.402 . . . . 1.0 110.884 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.41 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 88.9 tt0 -168.28 128.27 1.26 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.261 -179.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -126.16 128.82 47.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.848 178.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.774 ' NH2' ' H ' ' A' ' 74' ' ' LEU . 40.8 mtp85 -110.5 141.8 43.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.475 -179.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -91.66 -107.42 1.54 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -58.96 -11.07 9.96 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.741 -0.944 . . . . 1.0 110.741 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 69.35 63.33 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.353 . . . . 1.0 110.575 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.594 ' NH2' HG22 ' A' ' 148' ' ' VAL . 5.3 ptm180 -87.37 -53.91 4.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.55 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.774 ' H ' ' NH2' ' A' ' 69' ' ' ARG . 6.8 mt -96.81 169.6 8.54 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.479 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.547 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 2.6 Cg_exo -77.47 175.48 11.24 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.766 2.31 . . . . 1.0 112.1 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 55.8 p -90.51 133.31 35.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.68 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.5 mt -104.99 -9.4 17.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.433 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.41 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 16.2 tp -49.17 137.38 13.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.548 -178.075 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.77 -1.2 71.07 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.904 -0.878 . . . . 1.0 110.904 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 94.9 mt -99.09 133.57 43.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.772 0.32 . . . . 1.0 110.576 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.23 122.61 36.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.627 178.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -98.03 140.77 22.12 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.533 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.73 144.85 25.19 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 122.808 2.339 . . . . 1.0 112.185 178.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.05 -32.48 74.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.667 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.63 -21.6 3.44 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.964 -0.854 . . . . 1.0 110.964 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.02 -32.89 71.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.839 0.352 . . . . 1.0 110.602 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.501 ' O ' ' O ' ' A' ' 88' ' ' PRO . 1.8 pt -120.64 94.6 48.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.514 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.501 ' O ' ' O ' ' A' ' 87' ' ' ILE . 92.5 Cg_exo -40.49 -106.26 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.783 2.322 . . . . 1.0 112.237 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.445 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 87.6 tt0 -162.7 -51.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.561 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -47.8 -37.55 13.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.549 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.68 -37.66 82.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.635 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.404 ' HE ' ' HA ' ' A' ' 89' ' ' GLU . 65.6 mtm180 -69.61 -24.8 63.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.534 -179.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 97' ' ' LEU . 90.4 mtt-85 -57.53 -54.85 42.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.547 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.594 ' O ' ' N ' ' A' ' 98' ' ' ALA . 17.2 mt -52.49 -37.53 57.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.491 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' A' ' 101' ' ' ARG . 6.2 m-85 -65.58 -34.3 77.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.717 178.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 66.8 mtm180 -89.82 -20.95 22.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.62 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 93' ' ' ARG . 9.4 mp -102.99 -50.33 3.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.249 -177.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.594 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -97.44 -12.98 22.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.411 -176.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.507 ' C ' ' O ' ' A' ' 98' ' ' ALA . 87.0 mt-30 32.75 61.02 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.319 178.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.618 HG23 ' N ' ' A' ' 101' ' ' ARG . 34.7 m -104.93 -48.95 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.836 176.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.635 HH21 HG23 ' A' ' 154' ' ' VAL . 0.0 OUTLIER 54.23 58.32 5.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.242 172.459 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.573 ' C ' HD12 ' A' ' 103' ' ' ILE . 27.0 t -148.85 125.27 2.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.552 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.717 HD12 ' N ' ' A' ' 103' ' ' ILE . 2.2 mp -107.34 132.97 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.712 177.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.458 HG22 ' H ' ' A' ' 104' ' ' VAL . 2.5 m -82.75 169.04 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.342 -178.206 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.422 ' C ' ' H ' ' A' ' 107' ' ' GLU . 9.0 m-20 -53.97 120.61 6.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.468 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 106' ' ' VAL . 10.1 p -51.93 -11.78 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.551 179.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.691 ' C ' ' H ' ' A' ' 109' ' ' GLN . 6.3 pt-20 -95.8 -26.34 15.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.366 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.466 ' O ' ' HB2' ' A' ' 109' ' ' GLN . . . -62.84 23.45 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.691 ' H ' ' C ' ' A' ' 107' ' ' GLU . 77.8 mt-30 73.02 49.61 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.73 177.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 38.7 m -86.48 117.38 25.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.386 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -155.86 120.14 4.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.787 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.603 ' OG ' ' N ' ' A' ' 136' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.192 178.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.772 0.32 . . . . 1.0 110.453 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.502 HH21 ' CB ' ' A' ' 98' ' ' ALA . 23.8 mmt180 -136.08 123.76 14.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.649 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -79.39 141.25 15.82 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.749 2.299 . . . . 1.0 112.013 177.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 2.2 t -123.54 132.25 71.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.549 -179.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.603 ' N ' ' OG ' ' A' ' 112' ' ' SER . 3.2 m-20 -42.95 158.74 0.22 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.442 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -50.38 -10.88 0.28 Allowed 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.868 2.378 . . . . 1.0 111.834 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.1 m -58.18 -47.9 81.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.361 178.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -32.46 67.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.267 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 76.6 t -53.79 -63.06 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.468 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 145' ' ' SER . 84.4 t60 -69.26 -48.84 60.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.381 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . 0.533 ' CZ ' ' CE ' ' A' ' 146' ' ' MET . 76.9 t80 -48.16 -53.6 16.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.502 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.7 tp -67.95 -50.0 58.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.41 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 147' ' ' GLY . 24.5 tptp -56.63 -41.38 77.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.424 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.485 ' OG ' ' O ' ' A' ' 142' ' ' TYR . 74.8 p -52.27 -26.4 11.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.502 179.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . 0.533 ' CE ' ' CZ ' ' A' ' 142' ' ' TYR . 5.8 mtt -90.84 -0.65 57.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.422 177.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 144' ' ' LYS . . . 70.97 22.92 78.48 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.594 HG22 ' NH2' ' A' ' 73' ' ' ARG . 14.6 t -110.7 121.0 62.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.796 0.331 . . . . 1.0 110.67 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -93.66 -22.97 18.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.291 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.478 ' O ' HG12 ' A' ' 148' ' ' VAL . 47.4 t -106.86 137.95 43.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.126 -179.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 2.4 p -141.86 105.0 4.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.938 0.399 . . . . 1.0 111.032 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 28.0 tp -103.88 119.91 39.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.933 -0.576 . . . . 1.0 109.996 177.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.458 ' CG2' ' N ' ' A' ' 154' ' ' VAL . 2.2 p -115.97 155.85 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.054 0.454 . . . . 1.0 111.247 -177.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.635 HG23 HH21 ' A' ' 101' ' ' ARG . 7.0 p -160.6 100.64 1.34 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.765 -0.652 . . . . 1.0 109.934 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -68.88 156.59 64.9 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.838 2.359 . . . . 1.0 112.736 -175.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 26.3 mt -118.15 95.72 5.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.233 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 21.2 ptm -115.13 138.82 50.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.744 -178.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . 0.423 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 71.3 t60 -113.33 124.38 52.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.389 177.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.411 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 80.2 t60 65.82 -106.79 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.412 -178.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . 0.614 ' O ' ' NE2' ' A' ' 160' ' ' GLN . 35.6 tp60 -120.95 -1.23 9.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.409 -178.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -113.14 156.66 22.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.611 -176.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 6.1 tt -107.47 125.52 51.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.448 178.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -100.32 -39.87 7.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.833 -177.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -149.05 -178.21 23.88 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.228 -0.749 . . . . 1.0 111.228 -177.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 5.1 tp -144.71 132.7 21.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.699 0.285 . . . . 1.0 110.475 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.585 ' HB3' HG13 ' A' ' 154' ' ' VAL . 18.7 tp -105.34 150.55 25.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.587 178.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 9.4 p -153.04 147.02 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.699 -178.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . 0.507 ' O ' ' ND1' ' A' ' 169' ' ' HIS . 24.5 t -127.43 141.56 51.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.321 178.304 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' HIS . . . . . 0.507 ' ND1' ' O ' ' A' ' 168' ' ' SER . 11.7 m-70 -139.93 135.13 32.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.739 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . 0.575 ' HD1' ' CB ' ' A' ' 48' ' ' THR . 2.1 p-80 -170.87 167.16 7.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.457 -179.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.544 ' N ' ' NH1' ' A' ' 73' ' ' ARG . . . -53.91 -169.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.581 179.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -117.62 81.78 15.12 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.577 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -84.37 -56.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.836 2.358 . . . . 1.0 112.122 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -146.8 153.13 45.98 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.498 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -65.28 176.67 3.08 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.771 2.314 . . . . 1.0 112.069 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 176' ' ' TYR . . . . . 0.487 ' CD1' ' O ' ' A' ' 176' ' ' TYR . 30.1 p90 -117.66 134.7 54.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.663 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 57.8 m -85.74 144.39 27.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.534 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -66.72 -35.83 81.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.491 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -60.95 -48.98 79.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.509 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -70.11 -31.23 68.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.475 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 29.4 tp -56.45 -35.74 68.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.43 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . 0.421 ' HA ' HE21 ' A' ' 185' ' ' GLN . 56.7 mt-30 -70.58 -50.42 37.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.364 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 62.0 t -43.8 -49.21 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.124 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 187' ' ' LEU . 5.8 p -73.78 -37.6 49.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.209 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.421 HE21 ' HA ' ' A' ' 182' ' ' GLN . 6.9 tt0 -45.85 -37.63 6.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.134 178.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 61.7 mt -70.11 -36.21 74.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.088 177.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . 0.727 HD23 ' O ' ' A' ' 187' ' ' LEU . 1.4 tt -55.4 -33.37 63.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.038 -0.528 . . . . 1.0 109.999 178.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -74.41 -37.57 63.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.074 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -56.16 -38.97 71.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.148 178.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . 0.501 ' O ' HG22 ' A' ' 193' ' ' ILE . 94.5 mt-30 -54.71 -48.51 72.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.133 179.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 59.9 t -60.58 -45.35 97.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.144 178.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 16.5 m -49.95 -46.67 52.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.101 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . 0.501 HG22 ' O ' ' A' ' 190' ' ' GLN . 13.3 tt -77.79 -27.19 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.147 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -67.76 -45.54 74.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.233 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 17.7 pt -71.78 -20.92 20.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.276 179.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . 0.423 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -76.12 -56.37 4.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.282 178.143 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -61.49 -24.22 66.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.366 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -73.32 -38.18 65.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.471 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -53.22 -37.78 62.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.424 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . 0.556 ' C ' HD23 ' A' ' 200' ' ' LEU . 3.1 tt -59.53 -60.46 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.477 -179.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 18.8 m -57.1 -44.63 83.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.488 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.613 ' N ' HD12 ' A' ' 202' ' ' LEU . 10.0 mp . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 118.035 -0.983 . . . . 1.0 110.557 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.2 tp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.793 0.33 . . . . 1.0 110.624 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.421 ' OD1' HG11 ' A' ' 65' ' ' VAL . 73.3 m-20 -56.48 -36.45 69.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.611 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -73.25 -53.34 11.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.584 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.543 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.6 mp -50.91 -54.58 9.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.603 -178.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 73.4 mt -57.9 -31.66 66.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.615 -177.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -51.04 -39.93 57.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.573 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.25 -27.64 38.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.602 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.4 p -67.39 -43.76 80.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.688 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.568 HG21 ' CB ' ' A' ' 66' ' ' ALA . 57.9 t -58.94 -39.64 78.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.654 178.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.422 ' OE2' ' HB2' ' A' ' 68' ' ' ALA . 73.5 mm-40 -73.69 -45.45 52.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.582 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -58.15 -49.31 77.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.532 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.0 t -60.61 -45.45 97.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.428 179.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' A' ' 47' ' ' GLY . 41.2 ttp180 -48.32 -44.06 33.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.515 179.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.02 -41.01 95.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.541 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -71.85 -52.53 16.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.578 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.573 ' O ' ' N ' ' A' ' 48' ' ' THR . 66.0 mt -79.77 1.84 25.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.519 178.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.15 21.39 0.03 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.992 -0.843 . . . . 1.0 110.992 178.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.926 ' HG1' ' CE1' ' A' ' 170' ' ' HIS . 1.4 m -72.57 136.76 45.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.815 0.341 . . . . 1.0 110.615 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.535 ' O ' ' N ' ' A' ' 70' ' ' GLY . 4.3 p30 -69.26 -26.67 64.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.579 -177.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.568 ' NH2' ' OE2' ' A' ' 67' ' ' GLU . 26.1 ttt-85 -143.01 120.35 11.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.965 0.412 . . . . 1.0 111.003 -177.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.4 p -150.1 137.84 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.837 -0.62 . . . . 1.0 109.807 177.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 33.8 pttt -145.78 164.98 30.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.003 0.43 . . . . 1.0 111.235 -179.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.426 HG12 ' HB3' ' A' ' 66' ' ' ALA . 4.9 p -110.26 138.37 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.774 -0.648 . . . . 1.0 109.871 178.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.407 ' CZ ' ' HA3' ' A' ' 62' ' ' GLY . 12.8 t80 -120.8 119.68 33.4 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.802 -0.359 . . . . 1.0 111.218 -178.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -94.36 163.1 13.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.009 -0.541 . . . . 1.0 109.875 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.531 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 70.8 t80 -130.03 145.38 51.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.04 0.448 . . . . 1.0 110.817 -178.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.531 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 8.1 m-20 -114.51 147.59 38.41 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.309 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.92 -24.2 71.61 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.683 2.256 . . . . 1.0 112.037 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -77.94 -1.26 31.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.42 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.27 22.08 36.14 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.811 -0.916 . . . . 1.0 110.811 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.518 ' O ' ' N ' ' A' ' 57' ' ' ASP . 76.1 m80 -119.54 143.57 47.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.811 0.339 . . . . 1.0 110.739 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.407 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -134.91 156.32 22.45 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.612 -0.995 . . . . 1.0 110.612 178.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.419 HG23 HG22 ' A' ' 81' ' ' THR . 4.3 m -137.71 159.08 42.97 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.854 -0.339 . . . . 1.0 110.758 -178.031 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.7 t -98.44 111.29 27.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.135 175.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.421 HG11 ' OD1' ' A' ' 32' ' ' ASP . 28.4 m -99.43 1.96 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.825 -175.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.568 ' CB ' HG21 ' A' ' 39' ' ' VAL . . . -164.17 150.1 10.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.903 0.383 . . . . 1.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.568 ' OE2' ' NH2' ' A' ' 50' ' ' ARG . 42.1 tt0 -167.66 127.44 1.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.323 -179.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.422 ' HB2' ' OE2' ' A' ' 40' ' ' GLU . . . -123.38 136.28 54.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.839 179.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 49' ' ' ASP . 83.5 mtm180 -120.26 142.63 48.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.509 -179.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -94.77 -108.6 2.17 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.896 -0.882 . . . . 1.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -55.72 -5.55 0.91 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.841 -0.904 . . . . 1.0 110.841 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.482 ' H ' ' C ' ' A' ' 70' ' ' GLY . 68.2 tt0 64.94 58.04 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.75 0.31 . . . . 1.0 110.582 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.5 ' CZ ' ' OD2' ' A' ' 49' ' ' ASP . 16.5 ptp180 -86.02 -48.8 8.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.513 178.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.425 ' N ' ' CG ' ' A' ' 73' ' ' ARG . 11.9 mt -97.67 152.04 37.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.484 178.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -67.88 171.87 11.61 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.729 2.286 . . . . 1.0 112.111 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.4 p -88.2 128.1 35.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.669 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.9 mt -104.82 -11.52 16.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.475 -179.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.0 tp -41.05 136.52 1.49 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.519 -178.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.09 -1.79 78.04 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.847 -0.901 . . . . 1.0 110.847 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.408 HD23 ' CZ ' ' A' ' 82' ' ' PHE . 28.2 tp -93.88 127.75 39.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.762 0.315 . . . . 1.0 110.561 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.419 HG22 HG23 ' A' ' 63' ' ' THR . 24.6 p -91.23 120.78 32.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.594 179.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.408 ' CZ ' HD23 ' A' ' 80' ' ' LEU . 36.3 m-85 -94.37 139.09 22.3 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.526 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.26 136.95 18.49 Favored 'Trans proline' 0 C--N 1.304 -1.81 0 C-N-CA 122.921 2.414 . . . . 1.0 112.204 178.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.93 -34.34 65.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.613 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.76 -22.35 4.18 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.027 -0.829 . . . . 1.0 111.027 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -60.29 -32.54 71.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.819 0.342 . . . . 1.0 110.628 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.582 ' O ' ' O ' ' A' ' 88' ' ' PRO . 23.4 mm -108.9 103.8 52.98 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.536 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.582 ' O ' ' O ' ' A' ' 87' ' ' ILE . 89.3 Cg_exo -46.42 -121.91 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.78 2.32 . . . . 1.0 112.198 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.403 ' HG3' HH21 ' A' ' 92' ' ' ARG . 85.6 tt0 -158.96 -38.43 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.592 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -64.85 -38.02 89.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.583 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.5 ' O ' ' CD1' ' A' ' 95' ' ' PHE . . . -63.96 -34.46 78.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.526 -179.277 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.403 HH21 ' HG3' ' A' ' 89' ' ' GLU . 73.7 mtm180 -69.85 -23.42 63.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.556 -178.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 21.1 mtp-105 -55.59 -57.07 13.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.472 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.634 ' O ' ' N ' ' A' ' 98' ' ' ALA . 58.8 mt -56.48 -33.59 66.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.474 -179.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.669 ' CZ ' ' NH1' ' A' ' 101' ' ' ARG . 3.2 m-85 -63.56 -29.93 71.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.721 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.546 ' C ' HD12 ' A' ' 97' ' ' LEU . 94.6 mtm-85 -88.65 -23.23 23.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.72 -178.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.546 HD12 ' C ' ' A' ' 96' ' ' ARG . 9.9 mp -107.22 -43.27 4.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.22 -177.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.634 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -89.12 -31.89 17.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.45 -175.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 98' ' ' ALA . 94.2 mt-30 37.43 64.82 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.328 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.542 ' H ' ' NH2' ' A' ' 101' ' ' ARG . 2.0 m -120.97 -43.52 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.783 176.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.9 ' H ' ' CZ ' ' A' ' 101' ' ' ARG . 0.2 OUTLIER 57.48 66.69 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.309 173.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.582 ' C ' HD12 ' A' ' 103' ' ' ILE . 8.0 p -146.74 124.71 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.591 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.582 HD12 ' C ' ' A' ' 102' ' ' VAL . 1.7 mp -108.96 134.37 51.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.743 177.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.687 HG22 ' N ' ' A' ' 105' ' ' ASP . 12.6 p -80.41 169.59 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.313 -178.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.687 ' N ' HG22 ' A' ' 104' ' ' VAL . 3.5 m-20 -48.16 119.29 2.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.397 -178.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.89 -11.14 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.523 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.553 ' C ' ' H ' ' A' ' 109' ' ' GLN . 4.3 pt-20 -84.82 -29.5 25.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.349 179.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.462 ' O ' ' CG ' ' A' ' 109' ' ' GLN . . . -57.22 -0.73 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.387 178.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.553 ' H ' ' C ' ' A' ' 107' ' ' GLU . 15.6 pt20 39.98 50.52 2.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.68 179.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 135' ' ' VAL . 53.8 p -89.95 135.31 33.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.424 174.126 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 77.0 mtm180 -120.54 138.78 53.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.849 -175.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.17 176.57 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.787 0.327 . . . . 1.0 110.45 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.7 84.21 48.96 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.623 179.334 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -49.39 149.66 9.13 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 122.78 2.32 . . . . 1.0 111.978 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.997 HG23 HG12 ' A' ' 140' ' ' VAL . 15.8 m -100.91 153.68 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.532 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.92 ' O ' HG13 ' A' ' 140' ' ' VAL . 0.0 OUTLIER -94.81 158.24 35.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.47 -178.353 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.408 ' O ' HG22 ' A' ' 140' ' ' VAL . 50.1 Cg_exo -47.39 -26.97 6.5 Favored 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.788 2.325 . . . . 1.0 111.928 -178.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . 0.412 ' SG ' ' N ' ' A' ' 139' ' ' HIS . 0.1 OUTLIER -76.97 -37.84 54.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.386 178.352 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.533 ' ND1' ' CG1' ' A' ' 135' ' ' VAL . 52.0 t-80 -84.34 -43.01 15.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.232 -177.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.997 HG12 HG23 ' A' ' 135' ' ' VAL . 3.1 m -47.34 -44.37 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.539 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.56 ' N ' HG23 ' A' ' 140' ' ' VAL . 83.5 t60 -64.79 -37.89 89.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.473 177.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -48.05 -54.38 13.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.457 178.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.439 ' HA ' HD23 ' A' ' 143' ' ' LEU . 86.4 mt -66.83 -51.15 59.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.355 179.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -57.25 -41.15 79.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.428 -179.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.7 t -54.36 -28.15 41.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.5 178.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 43.7 mtt -91.84 0.89 57.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.522 177.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 69.84 23.82 76.7 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.915 -0.874 . . . . 1.0 110.915 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.616 HG12 ' O ' ' A' ' 150' ' ' SER . 6.3 t -108.03 115.56 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 1.0 110.668 179.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -82.24 -30.74 30.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.228 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.616 ' O ' HG12 ' A' ' 148' ' ' VAL . 73.0 m -106.77 141.51 37.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.139 -178.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . 0.4 ' OG ' HG21 ' A' ' 103' ' ' ILE . 8.7 p -140.5 121.01 14.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.914 0.388 . . . . 1.0 111.137 -179.284 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 64.8 tp -115.07 129.29 56.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.013 177.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.704 HG13 ' HB3' ' A' ' 101' ' ' ARG . 2.9 p -117.69 155.7 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.07 0.462 . . . . 1.0 111.204 -177.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 153' ' ' VAL . 49.8 t -159.17 111.14 1.55 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.701 -0.682 . . . . 1.0 109.965 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -83.94 152.72 12.86 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 122.923 2.415 . . . . 1.0 112.735 -179.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 41.0 mt -117.79 96.72 5.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.211 178.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 19.5 ptm -119.64 137.36 53.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.762 -178.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . 0.513 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 35.7 t-80 -119.82 123.88 44.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.053 -0.522 . . . . 1.0 110.456 177.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.486 ' CB ' ' O ' ' A' ' 158' ' ' HIS . 23.7 t-80 79.01 -114.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.373 -178.248 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -121.01 4.18 10.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.44 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -117.77 162.0 18.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.588 -177.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.598 HD12 ' N ' ' A' ' 162' ' ' LEU . 6.9 mp -105.34 124.02 48.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.463 177.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -100.22 -39.85 7.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.871 -177.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -148.48 -177.66 22.93 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.203 -0.759 . . . . 1.0 111.203 -178.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 3.6 tp -145.16 130.27 18.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.788 0.328 . . . . 1.0 110.456 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.527 ' HB3' ' O ' ' A' ' 154' ' ' VAL . 12.4 tp -105.93 140.73 38.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.606 177.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . 0.512 ' CG1' ' NE2' ' A' ' 169' ' ' HIS . 37.2 t -148.13 137.27 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.696 -176.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 1.1 p -123.85 142.22 51.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.428 178.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' HIS . . . . . 0.512 ' NE2' ' CG1' ' A' ' 167' ' ' VAL . 88.1 m-70 -139.51 142.73 37.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.766 -179.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . 0.926 ' CE1' ' HG1' ' A' ' 48' ' ' THR . 1.2 p-80 -172.67 168.59 5.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.474 -179.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -53.51 -174.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.61 178.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 55.2 tt0 -117.63 82.42 15.97 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.578 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -85.31 -35.24 0.16 Allowed 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.842 2.361 . . . . 1.0 112.098 179.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -160.64 154.0 18.48 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.456 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.73 179.56 2.59 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.764 2.309 . . . . 1.0 112.059 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -101.51 125.0 48.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.658 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 59.9 p -85.35 147.8 26.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.613 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -66.95 -35.53 80.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.457 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.3 -46.51 90.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.474 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -74.25 -31.99 62.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.432 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 20.1 tp -50.83 -52.67 39.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.397 -179.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -60.97 -51.89 67.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.273 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 93.9 t -43.11 -47.85 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.186 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 90.9 t -75.12 -35.67 35.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.147 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -50.4 -42.06 53.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.1 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 26.1 tp -73.22 -33.95 65.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.075 178.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 11.5 tp -57.14 -30.74 64.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.148 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -72.29 -39.17 68.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.082 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -58.2 -39.33 78.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.183 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -54.24 -56.64 16.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.181 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 95.2 t -56.33 -42.8 75.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.126 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 4.5 m -49.52 -33.6 15.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.098 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 70.0 mt -81.24 -33.97 13.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.062 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -69.21 -46.23 67.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.277 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 19.4 tt -64.18 -33.66 63.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.238 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . 0.513 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -75.75 -55.36 5.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.356 179.074 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -56.07 -25.99 47.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.431 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -75.63 -34.85 60.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.51 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -54.19 -39.67 66.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.42 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . 0.637 ' N ' HD12 ' A' ' 200' ' ' LEU . 9.4 mp -56.68 -62.52 1.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.548 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 22.7 m -61.73 -46.29 90.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.434 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 16.2 tp . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.979 -1.01 . . . . 1.0 110.526 179.857 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.2 tp . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.808 0.337 . . . . 1.0 110.589 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 65' ' ' VAL . 51.3 t0 -64.99 -33.49 76.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.604 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -77.07 -54.84 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.55 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.732 HD13 ' O ' ' A' ' 34' ' ' ILE . 0.3 OUTLIER -56.32 -35.67 43.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.519 -178.15 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.436 ' N ' ' CG2' ' A' ' 34' ' ' ILE . 84.7 mt -73.01 -27.58 61.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.637 -179.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.414 ' O ' HG12 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -58.51 -34.38 70.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.602 179.296 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.46 -23.27 34.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.626 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 34' ' ' ILE . 72.9 p -75.97 -47.21 25.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.672 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.515 HG13 ' N ' ' A' ' 40' ' ' GLU . 7.8 p -58.3 -42.13 82.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.691 -178.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.515 ' N ' HG13 ' A' ' 39' ' ' VAL . 23.6 pt-20 -75.86 -38.87 57.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.573 -178.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.4 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 41.0 mm-40 -63.8 -42.34 97.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.511 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.54 -51.61 61.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.49 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.572 ' O ' ' N ' ' A' ' 47' ' ' GLY . 34.5 ttp180 -47.32 -40.44 17.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.536 179.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.16 -37.6 80.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.575 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -78.74 -50.48 11.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.529 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.565 HD21 HG11 ' A' ' 184' ' ' VAL . 57.7 mt -77.89 -5.29 50.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.542 179.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.572 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 42.55 19.13 0.05 OUTLIER Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 178.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.639 ' HG1' ' CE1' ' A' ' 170' ' ' HIS . 1.7 m -71.78 137.17 47.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.814 0.34 . . . . 1.0 110.559 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' A' ' 70' ' ' GLY . 87.7 m-20 -53.54 -42.94 67.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.597 -177.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.623 HH12 HD11 ' A' ' 77' ' ' LEU . 21.8 ttm180 -136.2 126.44 26.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.018 -175.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.4 t -142.2 129.85 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.902 -0.59 . . . . 1.0 109.893 175.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 40.0 pttt -144.13 154.42 43.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.128 0.49 . . . . 1.0 111.25 -177.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 56.3 t -101.08 137.54 28.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.721 -0.672 . . . . 1.0 109.886 178.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.435 ' CZ ' ' HA3' ' A' ' 62' ' ' GLY . 14.0 t80 -122.84 119.88 31.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.927 0.394 . . . . 1.0 111.268 -179.121 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.483 ' CG ' ' N ' ' A' ' 56' ' ' PHE . 50.2 ttm-85 -94.33 164.8 12.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.012 -0.54 . . . . 1.0 109.903 -179.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.483 ' N ' ' CG ' ' A' ' 55' ' ' ARG . 82.3 t80 -129.67 145.93 51.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.001 0.429 . . . . 1.0 110.879 -178.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 21.7 t70 -117.41 134.05 23.16 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.336 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -44.15 -29.3 2.76 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.711 2.274 . . . . 1.0 112.049 179.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -73.76 -8.22 55.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.451 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.19 18.5 31.13 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.86 -0.896 . . . . 1.0 110.86 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.474 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 96.2 m-70 -116.12 140.96 48.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.843 0.354 . . . . 1.0 110.733 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.435 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -135.22 157.93 23.36 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.567 -1.013 . . . . 1.0 110.567 179.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.51 HG22 HG22 ' A' ' 81' ' ' THR . 81.0 p -139.38 159.3 42.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 1.0 110.739 -178.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.9 t -98.55 114.61 36.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.205 176.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.411 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 12.1 m -101.24 2.79 10.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.829 -177.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.413 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -161.46 148.81 14.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.378 . . . . 1.0 110.904 -179.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.522 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 88.7 tt0 -165.88 125.27 1.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.312 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -121.32 130.74 53.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.799 178.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.514 ' O ' ' NH1' ' A' ' 43' ' ' ARG . 67.8 mtm180 -111.66 140.24 46.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.51 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -91.15 -111.43 1.65 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 72' ' ' GLU . . . -57.04 -18.64 27.66 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.783 -0.927 . . . . 1.0 110.783 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.477 ' CB ' ' O ' ' A' ' 71' ' ' GLY . 41.6 tt0 79.27 60.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.77 0.319 . . . . 1.0 110.602 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.437 ' HG3' ' H ' ' A' ' 74' ' ' LEU . 6.6 ptm180 -87.09 -49.76 7.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.487 178.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.437 ' H ' ' HG3' ' A' ' 73' ' ' ARG . 17.9 mt -99.24 166.54 12.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.506 178.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.546 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 4.7 Cg_exo -78.64 174.26 12.55 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.782 2.321 . . . . 1.0 112.066 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 34.5 t -90.19 132.27 35.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.724 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.623 HD11 HH12 ' A' ' 50' ' ' ARG . 37.2 mt -106.42 -11.57 15.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.504 -178.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.522 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 21.3 tp -40.24 135.37 1.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.558 -178.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.57 -0.25 67.71 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.901 -0.88 . . . . 1.0 110.901 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.755 HD23 ' N ' ' A' ' 81' ' ' THR . 3.6 tt -94.03 126.27 39.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 1.0 110.516 -179.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.755 ' N ' HD23 ' A' ' 80' ' ' LEU . 2.0 p -95.33 129.48 42.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.547 178.339 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.43 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 23.4 m-85 -104.27 147.71 34.79 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.556 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -79.65 145.37 18.23 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.902 2.401 . . . . 1.0 112.219 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.38 -34.21 66.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.65 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.28 -25.3 18.6 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.997 -0.841 . . . . 1.0 110.997 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -57.24 -30.23 64.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.35 . . . . 1.0 110.574 -179.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.565 ' O ' ' O ' ' A' ' 88' ' ' PRO . 38.5 mm -113.47 98.76 47.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.582 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.565 ' O ' ' O ' ' A' ' 87' ' ' ILE . 74.8 Cg_exo -48.81 -127.11 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.858 2.372 . . . . 1.0 112.189 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -148.83 -64.36 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.568 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -46.13 -39.72 9.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.574 -178.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.21 -49.15 53.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.535 179.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -60.88 -27.15 67.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.559 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 96' ' ' ARG . 61.7 mtp85 -61.94 -47.29 85.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.473 -178.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.541 ' O ' ' N ' ' A' ' 98' ' ' ALA . 16.6 mt -48.39 -45.4 35.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.538 -179.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -63.61 -25.02 68.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.79 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 93' ' ' ARG . 48.4 mtp85 -87.85 -22.48 24.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.716 179.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.0 mt -103.37 -47.6 4.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.2 -178.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -98.95 -15.19 19.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.433 -175.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.489 ' C ' ' O ' ' A' ' 98' ' ' ALA . 87.0 mt-30 34.57 63.23 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.384 178.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 12.7 t -96.09 -47.09 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.828 177.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.71 HH11 HE22 ' A' ' 185' ' ' GLN . 8.1 mtt180 61.1 50.27 5.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.289 173.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.602 ' C ' HD12 ' A' ' 103' ' ' ILE . 71.5 t -152.52 127.16 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.614 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.688 HD12 ' N ' ' A' ' 103' ' ' ILE . 1.9 mp -107.41 136.85 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.694 177.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.651 HG12 ' N ' ' A' ' 105' ' ' ASP . 54.9 t -81.88 167.8 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.35 -178.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.651 ' N ' HG12 ' A' ' 104' ' ' VAL . 44.2 m-20 -52.57 121.3 6.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.399 -178.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.8 m -58.79 -10.04 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.565 178.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -78.8 -34.87 45.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.283 -179.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.37 -10.89 1.53 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.34 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 48.4 59.98 3.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.691 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.541 ' O ' ' O ' ' A' ' 135' ' ' VAL . 2.5 t -86.35 142.4 28.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.359 175.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -121.77 125.6 46.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.797 -178.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.459 ' O ' ' CG ' ' A' ' 136' ' ' ASP . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.233 178.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . 0.407 ' NE2' HG21 ' A' ' 104' ' ' VAL . 2.6 pt20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.804 0.335 . . . . 1.0 110.393 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.589 ' CA ' ' HE ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -113.2 103.34 55.57 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.663 179.758 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -76.91 142.59 22.42 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.762 2.308 . . . . 1.0 112.02 -178.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.541 ' O ' ' O ' ' A' ' 110' ' ' SER . 16.2 m -100.92 159.43 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.565 -179.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.618 ' OD1' ' N ' ' A' ' 136' ' ' ASP . 0.0 OUTLIER -92.27 152.58 42.59 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.472 -179.326 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.556 ' O ' ' CD2' ' A' ' 141' ' ' HIS . 3.4 Cg_endo -45.34 -34.88 10.86 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.859 2.373 . . . . 1.0 111.933 -178.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . 0.573 ' SG ' ' N ' ' A' ' 139' ' ' HIS . 0.1 OUTLIER -66.12 -44.0 85.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.458 177.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.606 ' CE1' HD13 ' A' ' 143' ' ' LEU . 38.3 t-80 -76.13 -32.5 59.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.316 178.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 52.6 t -51.59 -53.85 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.42 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.556 ' CD2' ' O ' ' A' ' 137' ' ' PRO . 11.1 m-70 -62.1 -41.92 98.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.465 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -44.41 -48.02 9.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.38 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.606 HD13 ' CE1' ' A' ' 139' ' ' HIS . 7.9 mp -70.11 -49.81 47.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.313 178.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -55.34 -41.46 72.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.414 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 21.8 m -53.91 -27.1 28.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.49 179.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 55.4 mtt -90.09 0.77 56.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.476 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 68.45 24.88 75.06 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.936 -0.866 . . . . 1.0 110.936 178.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.574 HG22 ' O ' ' A' ' 150' ' ' SER . 3.7 p -109.69 124.54 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 1.0 110.699 178.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -86.62 -33.15 20.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.287 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.574 ' O ' HG22 ' A' ' 148' ' ' VAL . 67.1 m -112.27 152.88 27.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.098 -178.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.9 m -150.58 116.23 5.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.013 0.435 . . . . 1.0 111.06 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 47.1 tp -104.13 133.45 49.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.933 -0.576 . . . . 1.0 109.927 178.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.427 ' C ' ' CG2' ' A' ' 154' ' ' VAL . 9.8 p -128.65 151.97 36.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.055 0.455 . . . . 1.0 111.175 -178.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.427 ' CG2' ' C ' ' A' ' 153' ' ' VAL . 1.3 t -151.75 78.34 6.82 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 115.655 -0.702 . . . . 1.0 109.977 -179.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -51.82 152.62 13.08 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.862 2.374 . . . . 1.0 112.728 -176.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 28.2 mt -112.54 97.45 6.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.2 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 43.8 mtp -106.93 124.3 49.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.708 -178.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . 0.458 ' CD2' ' HB2' ' A' ' 196' ' ' ALA . 26.1 t-80 -110.99 123.8 50.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.383 176.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.449 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 76.5 t60 69.56 -113.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.357 -177.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . 0.421 ' N ' ' CG ' ' A' ' 159' ' ' HIS . 16.9 tt0 -120.82 4.65 10.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.441 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -117.63 167.93 10.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.598 -177.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 5.8 tt -104.3 121.54 43.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.451 178.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' TRP . . . . . 0.445 ' CD1' ' N ' ' A' ' 163' ' ' TRP . 25.7 m95 -104.72 -40.89 5.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.867 -176.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -139.64 172.42 23.33 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.28 -0.728 . . . . 1.0 111.28 -178.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 5.6 tp -144.26 128.37 17.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.714 0.293 . . . . 1.0 110.477 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.404 ' O ' HG23 ' A' ' 153' ' ' VAL . 11.7 tp -104.48 135.67 45.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.636 178.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 38.3 t -139.58 138.35 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.732 -178.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . 0.65 ' C ' ' HD1' ' A' ' 169' ' ' HIS . 0.1 OUTLIER -126.69 136.12 52.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.433 178.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' HIS . . . . . 0.65 ' HD1' ' C ' ' A' ' 168' ' ' SER . 0.7 OUTLIER -134.53 138.55 44.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.951 0.405 . . . . 1.0 110.703 -179.681 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . 0.639 ' CE1' ' HG1' ' A' ' 48' ' ' THR . 1.3 p-80 -170.85 167.41 7.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.492 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.429 ' N ' ' NH1' ' A' ' 73' ' ' ARG . . . -56.39 -170.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.644 178.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -118.43 80.93 16.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.621 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -84.79 -54.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.859 2.373 . . . . 1.0 112.092 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -146.94 152.85 44.94 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.563 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.42 174.8 5.74 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.769 2.313 . . . . 1.0 112.101 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 176' ' ' TYR . . . . . 0.437 ' CD1' ' O ' ' A' ' 176' ' ' TYR . 20.1 p90 -116.82 139.01 51.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.613 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 73.8 p -92.32 147.78 22.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.546 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -66.5 -34.98 79.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.425 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -59.78 -50.23 74.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.401 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -69.44 -31.3 69.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.42 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 30.0 tp -56.77 -36.7 70.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.447 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -68.07 -50.89 52.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.291 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 55.8 t -43.45 -50.89 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.202 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . 0.565 HG11 HD21 ' A' ' 46' ' ' LEU . 29.2 m -73.98 -35.41 42.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.174 -179.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.71 HE22 HH11 ' A' ' 101' ' ' ARG . 54.0 tp60 -46.61 -32.95 3.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.075 177.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 26.4 tp -74.72 -41.64 59.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.062 178.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 4.1 mt -53.42 -33.17 52.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.018 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -76.73 -40.66 47.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.074 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -57.62 -39.23 76.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.2 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -53.59 -51.81 61.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.101 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 95.2 t -53.67 -42.31 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.085 179.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 2.8 m -49.61 -36.18 23.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.046 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . 0.48 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.6 mp -81.02 -32.87 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.147 179.285 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -69.15 -47.28 65.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.236 -178.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 2.2 pp -66.38 -32.55 58.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.247 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . 0.458 ' HB2' ' CD2' ' A' ' 158' ' ' HIS . . . -74.61 -55.55 5.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.379 178.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -58.81 -25.54 63.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.306 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -74.59 -37.04 62.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.485 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -52.17 -37.73 55.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.484 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . 0.621 ' N ' HD12 ' A' ' 200' ' ' LEU . 9.7 mp -59.78 -57.14 14.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.56 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 23.0 t -50.93 -41.85 59.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.488 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 20.4 mt . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.003 -0.998 . . . . 1.0 110.563 179.845 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.9 tp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.803 0.335 . . . . 1.0 110.528 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.8 p-10 -56.54 -31.96 64.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.619 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -77.57 -47.5 19.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.594 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.584 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.4 mp -63.06 -32.76 57.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.608 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.423 ' O ' HG22 ' A' ' 38' ' ' THR . 95.9 mt -79.22 -21.16 46.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.561 -179.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.507 ' O ' HG12 ' A' ' 39' ' ' VAL . 20.6 ttm180 -75.13 -34.05 61.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.543 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.35 -29.85 25.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.677 -178.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.533 ' CG2' ' N ' ' A' ' 39' ' ' VAL . 2.6 t -74.4 -42.76 58.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.607 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.533 ' N ' ' CG2' ' A' ' 38' ' ' THR . 6.3 p -56.3 -39.89 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.642 -179.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.468 ' N ' HG13 ' A' ' 39' ' ' VAL . 23.0 pt-20 -77.94 -33.28 51.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.551 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.42 -44.45 95.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.503 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.76 -44.52 96.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.453 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.564 ' O ' ' N ' ' A' ' 47' ' ' GLY . 55.3 ttp85 -47.83 -45.14 29.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.565 179.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.05 -38.12 81.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.519 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -76.41 -52.57 9.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.469 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.572 ' O ' ' N ' ' A' ' 48' ' ' THR . 10.9 mp -78.93 -4.37 49.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.541 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 41.05 19.76 0.03 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 178.425 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.572 ' N ' ' O ' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -73.69 140.92 46.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.765 0.317 . . . . 1.0 110.644 179.617 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.444 ' O ' ' HA ' ' A' ' 69' ' ' ARG . 96.1 m-20 -48.28 -45.56 34.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.564 -176.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -142.59 140.1 31.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.998 0.428 . . . . 1.0 111.011 -175.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.45 HG13 HG21 ' A' ' 48' ' ' THR . 0.0 OUTLIER -146.1 135.28 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.891 -0.595 . . . . 1.0 109.843 175.756 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -142.78 155.45 44.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.97 0.414 . . . . 1.0 111.289 -179.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.734 HG12 ' HB3' ' A' ' 66' ' ' ALA . 9.6 p -103.55 137.45 31.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.747 -0.661 . . . . 1.0 109.843 178.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -120.01 118.96 32.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.939 0.4 . . . . 1.0 111.231 -178.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -94.47 165.33 12.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.008 -0.542 . . . . 1.0 109.929 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.518 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 77.3 t80 -130.21 145.14 51.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.95 0.405 . . . . 1.0 110.835 -178.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.518 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 1.2 m-20 -115.12 148.12 39.93 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.238 179.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.01 -21.89 60.86 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.713 2.276 . . . . 1.0 112.036 -178.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' A' ' 59' ' ' GLU . 58.4 mp0 -79.81 -5.99 56.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.49 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 100.08 -12.12 60.48 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.784 -0.926 . . . . 1.0 110.784 178.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -84.2 141.95 30.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.879 0.371 . . . . 1.0 110.758 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -131.2 151.74 19.78 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.59 -1.004 . . . . 1.0 110.59 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.41 HG22 HG22 ' A' ' 81' ' ' THR . 77.9 p -136.46 156.73 48.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 1.0 110.778 -177.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.4 t -101.31 118.75 48.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.256 175.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.6 m -105.18 2.39 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.858 -175.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.734 ' HB3' HG12 ' A' ' 53' ' ' VAL . . . -157.14 147.47 21.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.91 0.386 . . . . 1.0 110.927 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.493 ' CD ' ' H ' ' A' ' 77' ' ' LEU . 55.3 tt0 -166.47 124.09 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.235 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.479 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -129.74 147.7 51.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.794 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.444 ' HA ' ' O ' ' A' ' 49' ' ' ASP . 5.1 ptp85 -145.09 149.98 36.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.493 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.45 ' C ' ' H ' ' A' ' 72' ' ' GLU . . . -101.88 -99.98 2.46 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.831 -0.908 . . . . 1.0 110.831 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -50.89 -10.58 0.44 Allowed Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.45 ' H ' ' C ' ' A' ' 70' ' ' GLY . 70.0 tt0 62.8 57.18 1.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 1.0 110.625 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 48.0 ttm-85 -80.78 -56.81 3.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.526 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 27.9 mt -89.87 164.5 28.35 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.486 178.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -81.11 171.97 13.42 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.763 2.309 . . . . 1.0 112.018 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 51.9 p -90.88 133.42 35.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.658 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.493 ' H ' ' CD ' ' A' ' 67' ' ' GLU . 28.1 mt -109.71 -9.98 14.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.453 -179.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.5 tp -42.05 136.5 2.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.572 -177.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.35 -2.68 78.56 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.861 -0.896 . . . . 1.0 110.861 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.3 tp -91.04 127.94 36.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 1.0 110.578 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.41 HG22 HG22 ' A' ' 63' ' ' THR . 3.0 p -98.95 128.36 45.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.611 178.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 13.8 m-85 -96.65 140.37 22.12 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.539 -179.183 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.37 144.0 22.59 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.795 2.33 . . . . 1.0 112.194 178.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.22 -41.45 75.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.619 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.0 -25.27 7.32 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.026 -0.829 . . . . 1.0 111.026 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -56.81 -30.73 64.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.832 0.349 . . . . 1.0 110.562 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.588 ' O ' ' O ' ' A' ' 88' ' ' PRO . 9.2 mt -120.07 97.2 49.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.465 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.588 ' O ' ' O ' ' A' ' 87' ' ' ILE . 86.6 Cg_exo -43.14 -116.33 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.82 2.346 . . . . 1.0 112.18 -179.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.417 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 13.7 tm-20 -158.1 -41.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.521 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 91' ' ' ALA . 21.3 pt-20 -64.92 -43.43 92.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.568 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.455 ' N ' ' CG ' ' A' ' 90' ' ' GLU . . . -60.4 -32.36 71.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.595 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -69.1 -22.46 63.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.652 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 97' ' ' LEU . 18.8 mmm180 -55.43 -58.12 9.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.514 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.684 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 48.5 mt -54.08 -36.98 63.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.505 179.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -68.38 -29.41 68.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.736 178.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.476 ' HE ' ' HA ' ' A' ' 96' ' ' ARG . 0.3 OUTLIER -89.56 -26.17 20.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.613 179.464 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 93' ' ' ARG . 10.8 mp -103.1 -41.63 6.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.262 -178.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.684 ' HB3' ' O ' ' A' ' 94' ' ' LEU . . . -90.87 -24.06 20.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.52 -178.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.48 ' C ' ' O ' ' A' ' 98' ' ' ALA . 94.9 mt-30 34.23 63.48 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.305 179.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.573 HG23 ' N ' ' A' ' 101' ' ' ARG . 23.2 m -111.03 -45.46 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.793 177.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.616 ' C ' HG13 ' A' ' 153' ' ' VAL . 6.7 mpt_? 52.94 61.59 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.288 176.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.587 ' C ' HD12 ' A' ' 103' ' ' ILE . 39.7 t -149.26 127.38 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.613 179.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.641 HD12 ' N ' ' A' ' 103' ' ' ILE . 1.8 mp -106.68 129.55 60.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.752 178.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.554 HG12 ' H ' ' A' ' 105' ' ' ASP . 4.7 t -84.31 168.93 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.32 -178.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.554 ' H ' HG12 ' A' ' 104' ' ' VAL . 28.9 t0 -58.39 119.3 6.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.452 -178.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 106' ' ' VAL . 11.3 p -51.92 -10.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.567 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.691 ' C ' ' H ' ' A' ' 109' ' ' GLN . 0.8 OUTLIER -93.35 -27.56 16.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.332 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 109' ' ' GLN . . . -63.16 23.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.312 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.691 ' H ' ' C ' ' A' ' 107' ' ' GLU . 78.1 mt-30 73.03 49.88 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.7 177.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 11.5 t -86.36 115.99 24.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.439 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 54.3 mtp85 -152.72 106.77 3.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.811 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.142 179.457 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.746 0.308 . . . . 1.0 110.419 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.517 ' CZ ' ' O ' ' A' ' 134' ' ' PRO . 0.0 OUTLIER -120.97 86.56 42.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.589 -179.611 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . 0.517 ' O ' ' CZ ' ' A' ' 133' ' ' ARG . 32.2 Cg_exo -56.43 142.84 88.72 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.763 2.309 . . . . 1.0 111.98 178.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.543 HG23 ' NE2' ' A' ' 139' ' ' HIS . 0.0 OUTLIER -125.69 133.54 68.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.506 -179.42 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 138' ' ' CYS . 33.5 m-20 -45.31 155.16 0.45 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.441 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -48.14 -11.27 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.799 2.333 . . . . 1.0 111.939 178.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 136' ' ' ASP . 0.0 OUTLIER -59.08 -41.95 89.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.374 178.912 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.543 ' NE2' HG23 ' A' ' 135' ' ' VAL . 0.2 OUTLIER -81.58 -28.81 33.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.292 -179.177 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.411 ' N ' ' CD2' ' A' ' 139' ' ' HIS . 22.5 t -48.72 -64.68 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.533 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.564 ' O ' ' N ' ' A' ' 145' ' ' SER . 83.2 t60 -61.18 -40.79 95.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.409 177.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . 0.411 ' CE2' ' CE ' ' A' ' 146' ' ' MET . 7.7 t80 -51.59 -60.89 2.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.405 178.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.9 mp -61.45 -53.65 53.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.369 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 147' ' ' GLY . 2.8 tmtt? -55.87 -40.83 73.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.47 179.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.564 ' N ' ' O ' ' A' ' 141' ' ' HIS . 14.5 t -54.53 -31.92 57.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.473 179.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . 0.411 ' CE ' ' CE2' ' A' ' 142' ' ' TYR . 6.0 mtt -85.3 -4.63 59.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.443 176.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 144' ' ' LYS . . . 76.59 26.64 62.7 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 170' ' ' HIS . 16.8 t -108.55 110.82 33.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.797 0.332 . . . . 1.0 110.695 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -72.57 -30.93 64.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.26 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.503 ' CB ' ' OE1' ' A' ' 172' ' ' GLU . 28.3 m -144.47 121.38 11.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.141 -179.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 13.9 p -115.3 130.67 56.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.976 0.417 . . . . 1.0 111.072 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 29.3 tp -100.26 115.63 30.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.978 -0.555 . . . . 1.0 109.919 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.616 HG13 ' C ' ' A' ' 101' ' ' ARG . 2.5 p -106.27 157.29 6.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.055 0.455 . . . . 1.0 111.265 -179.187 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.478 ' N ' HG22 ' A' ' 153' ' ' VAL . 93.7 t -153.64 126.58 4.1 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 115.762 -0.654 . . . . 1.0 109.986 -178.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -89.36 151.19 5.45 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.931 2.421 . . . . 1.0 112.649 -174.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 24.3 mt -117.15 96.52 5.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.248 176.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 49.8 mtp -105.57 127.41 53.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.776 -176.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . 0.586 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 16.6 t-80 -120.75 121.92 39.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.361 175.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.503 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 59.3 t60 78.26 -119.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.4 -176.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -121.1 3.56 10.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.402 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -119.33 167.68 11.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.565 -178.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 14.1 tp -101.96 121.52 42.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.492 178.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' TRP . . . . . 0.511 ' CD1' ' N ' ' A' ' 163' ' ' TRP . 19.5 m95 -103.04 -42.78 5.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.826 -177.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -140.45 176.13 21.59 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.226 -0.75 . . . . 1.0 111.226 -178.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 3.6 tp -147.91 127.75 13.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 1.0 110.469 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 154' ' ' VAL . 60.5 tp -98.87 140.1 33.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.557 178.176 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 5.4 t -143.93 144.25 23.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.688 -176.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 4.3 m -126.67 144.2 50.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.41 177.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -126.78 130.28 49.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.403 . . . . 1.0 110.71 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . 0.442 ' O ' HG13 ' A' ' 148' ' ' VAL . 1.5 p-80 -171.73 166.04 6.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.555 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -62.55 -155.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.602 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . 0.503 ' OE1' ' CB ' ' A' ' 150' ' ' SER . 24.1 tp10 -124.46 78.49 62.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.585 179.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -84.67 -52.09 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.833 2.355 . . . . 1.0 112.063 179.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -147.69 151.26 38.68 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.514 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.31 177.42 3.21 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.764 2.309 . . . . 1.0 112.048 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -109.2 115.63 30.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.596 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 46.4 m -69.32 144.37 53.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.572 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -66.23 -39.72 89.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.535 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -64.43 -54.47 32.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.502 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -65.26 -33.08 75.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.427 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 25.3 tp -57.52 -42.45 82.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.446 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -60.34 -48.54 81.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.344 -179.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 54.0 t -42.64 -49.76 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.103 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 91.1 t -72.92 -38.15 55.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.217 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -46.88 -33.97 5.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.095 178.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 10.7 mp -74.09 -41.23 61.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.092 178.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 187' ' ' LEU . 93.5 mt -53.87 -30.83 47.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.066 178.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -74.24 -38.91 63.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.061 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -59.15 -40.14 84.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.171 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -52.54 -54.33 34.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.113 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 81.9 t -54.89 -41.01 55.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.155 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 3.9 t -48.85 -36.0 15.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.16 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . 0.441 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -79.16 -32.77 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.969 -0.559 . . . . 1.0 110.074 179.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -70.5 -47.66 59.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.282 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 17.7 tt -64.23 -35.17 73.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.181 179.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . 0.586 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -76.32 -55.72 5.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.346 178.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -56.11 -25.11 44.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.399 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -75.37 -35.43 61.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.463 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -52.5 -39.42 61.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.444 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . 0.547 ' C ' HD23 ' A' ' 200' ' ' LEU . 2.8 tt -54.31 -64.65 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.474 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 87.3 p -63.23 -47.44 82.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.466 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 11.6 tp . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.01 -0.995 . . . . 1.0 110.599 179.779 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 64.3 tp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.841 0.353 . . . . 1.0 110.556 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -55.27 -34.53 64.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.568 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -74.15 -49.4 23.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.54 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.869 ' O ' HG23 ' A' ' 38' ' ' THR . 1.4 mp -60.44 -31.39 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.577 -178.277 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 92.7 mt -74.75 -25.88 59.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.598 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.501 ' O ' HG12 ' A' ' 39' ' ' VAL . 86.3 mtt180 -66.4 -35.73 81.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.621 178.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.22 -26.37 39.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.657 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.869 HG23 ' O ' ' A' ' 34' ' ' ILE . 43.3 p -76.84 -46.12 25.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.586 179.175 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.557 HG13 ' HB2' ' A' ' 68' ' ' ALA . 3.8 p -54.53 -36.5 35.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.65 -178.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.414 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 22.2 pt-20 -78.39 -32.17 48.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.575 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -63.7 -52.18 61.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.465 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.549 HG13 ' N ' ' A' ' 43' ' ' ARG . 7.2 p -61.63 -44.75 99.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.567 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.568 ' HE ' ' C ' ' A' ' 43' ' ' ARG . 1.6 tmm_? -47.91 -45.95 31.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.513 179.031 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.472 ' N ' ' HE ' ' A' ' 43' ' ' ARG . . . -58.97 -35.29 72.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.59 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -76.25 -51.91 11.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.5 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.624 ' N ' HD12 ' A' ' 46' ' ' LEU . 8.9 mp -79.97 -1.85 41.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.561 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 42.62 22.2 0.13 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 177.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.606 HG22 ' H ' ' A' ' 50' ' ' ARG . 1.2 m -75.71 137.07 40.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.845 0.355 . . . . 1.0 110.5 179.146 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.562 ' OD1' ' N ' ' A' ' 50' ' ' ARG . 30.8 p-10 -68.03 -20.24 64.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.603 -176.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.606 ' H ' HG22 ' A' ' 48' ' ' THR . 24.9 ttm180 -147.99 118.1 7.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.99 0.424 . . . . 1.0 111.011 -178.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.5 p -147.14 135.2 15.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.851 -0.613 . . . . 1.0 109.883 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 45.9 pttt -145.86 156.3 43.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.99 0.424 . . . . 1.0 111.256 -177.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.702 HG12 ' HB3' ' A' ' 66' ' ' ALA . 9.9 p -95.87 138.5 21.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.691 -0.686 . . . . 1.0 109.839 177.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.425 ' CZ ' ' HA3' ' A' ' 62' ' ' GLY . 68.1 t80 -123.21 119.18 29.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.887 0.375 . . . . 1.0 111.236 -177.005 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -94.94 162.67 13.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.96 -0.564 . . . . 1.0 109.92 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -129.83 144.78 51.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.912 0.387 . . . . 1.0 110.897 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 61' ' ' HIS . 21.3 t70 -115.04 133.82 22.61 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.301 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -44.33 -29.53 3.11 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.638 2.226 . . . . 1.0 112.051 179.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -73.02 -8.72 57.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.436 -178.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.68 20.11 25.32 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.788 -0.925 . . . . 1.0 110.788 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.505 ' O ' ' N ' ' A' ' 57' ' ' ASP . 79.7 m80 -119.54 143.82 47.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 1.0 110.706 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.425 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -139.08 161.21 25.94 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.665 -0.974 . . . . 1.0 110.665 178.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 76.9 p -140.28 160.57 39.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.827 0.346 . . . . 1.0 110.763 -177.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.9 t -100.2 115.16 40.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.165 176.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.8 m -105.93 2.04 10.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.88 -176.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.702 ' HB3' HG12 ' A' ' 53' ' ' VAL . . . -159.31 148.12 18.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.879 0.371 . . . . 1.0 110.869 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -166.11 125.33 1.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.191 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.557 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -127.59 152.81 47.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.871 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.535 ' C ' HH11 ' A' ' 43' ' ' ARG . 35.2 ptt-85 -139.84 145.12 37.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.476 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.69 13.68 66.07 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.914 -0.875 . . . . 1.0 110.914 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -173.02 -120.3 0.56 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.789 -0.924 . . . . 1.0 110.789 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -175.66 50.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.768 0.318 . . . . 1.0 110.561 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 52.2 ttm-85 -79.96 -57.77 3.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.518 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.404 ' CB ' ' NH2' ' A' ' 50' ' ' ARG . 12.3 mt -97.05 166.68 13.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.515 178.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . 0.518 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 2.9 Cg_exo -77.49 174.84 12.07 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.703 2.268 . . . . 1.0 112.064 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.9 m -95.53 140.33 30.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.722 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.551 HD11 ' NH1' ' A' ' 50' ' ' ARG . 43.4 mt -110.86 -12.79 14.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.438 -179.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.9 tp -43.38 137.97 2.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.553 -178.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.02 0.11 68.66 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.857 -0.897 . . . . 1.0 110.857 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.825 HD23 ' N ' ' A' ' 81' ' ' THR . 2.7 tt -99.79 130.01 45.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 1.0 110.576 -179.548 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.825 ' N ' HD23 ' A' ' 80' ' ' LEU . 12.9 t -96.98 132.54 42.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.641 178.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 23.2 m-85 -106.76 149.22 38.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.555 -179.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -80.42 147.63 18.06 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.868 2.379 . . . . 1.0 112.121 177.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.22 -32.34 72.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.702 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -51.47 -24.91 12.15 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -60.28 -29.3 68.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 1.0 110.602 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.62 ' O ' ' O ' ' A' ' 88' ' ' PRO . 86.9 mt -114.52 93.06 30.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.553 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.62 ' O ' ' O ' ' A' ' 87' ' ' ILE . 83.6 Cg_exo -43.81 -120.69 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.827 2.352 . . . . 1.0 112.198 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -154.66 -60.78 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.612 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.4 ' CG ' ' N ' ' A' ' 91' ' ' ALA . 11.2 pt-20 -45.85 -40.6 10.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.56 -178.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.4 ' N ' ' CG ' ' A' ' 90' ' ' GLU . . . -66.5 -44.91 81.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.571 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.593 HH21 ' CG2' ' A' ' 87' ' ' ILE . 39.1 ttm180 -60.16 -24.76 65.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.536 -178.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 96' ' ' ARG . 97.2 mtt180 -60.52 -51.85 67.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.475 -178.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.608 ' O ' ' N ' ' A' ' 98' ' ' ALA . 28.4 mt -47.29 -43.97 22.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.465 -179.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 32.6 m-85 -67.06 -25.01 66.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.756 179.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.479 ' C ' HD12 ' A' ' 97' ' ' LEU . 50.1 mtp180 -88.58 -25.61 22.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.7 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.479 HD12 ' C ' ' A' ' 96' ' ' ARG . 10.3 mp -104.99 -46.42 4.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.193 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.608 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -93.62 -18.28 22.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.43 -177.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.488 ' C ' ' O ' ' A' ' 98' ' ' ALA . 86.9 mt-30 34.4 63.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.266 178.149 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.562 HG23 ' N ' ' A' ' 101' ' ' ARG . 25.3 m -103.23 -45.13 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.856 176.134 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.562 ' N ' HG23 ' A' ' 100' ' ' VAL . 0.6 OUTLIER 58.95 56.75 3.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.273 173.352 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.625 ' C ' HD12 ' A' ' 103' ' ' ILE . 15.4 m -154.21 129.1 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.609 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.625 HD12 ' C ' ' A' ' 102' ' ' VAL . 1.7 mp -108.36 137.74 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.712 177.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.668 HG22 ' N ' ' A' ' 105' ' ' ASP . 11.2 p -79.54 168.63 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.298 -177.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.668 ' N ' HG22 ' A' ' 104' ' ' VAL . 28.1 m-20 -48.75 123.74 7.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.461 -178.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.404 ' CG2' HG13 ' A' ' 140' ' ' VAL . 9.8 p -60.65 -12.68 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.507 179.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -77.06 -32.57 56.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.302 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.39 -8.47 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.292 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 45.95 61.36 2.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.704 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 135' ' ' VAL . 17.9 p -86.28 140.11 30.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.386 175.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -122.81 131.65 53.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.841 -177.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.535 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 10.8 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.187 178.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.744 0.307 . . . . 1.0 110.464 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.565 ' NE ' HD13 ' A' ' 94' ' ' LEU . 9.1 mmp_? -116.86 108.91 43.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.733 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -79.85 140.69 14.67 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.709 2.273 . . . . 1.0 111.926 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.883 HG21 ' ND1' ' A' ' 139' ' ' HIS . 35.8 m -124.55 133.24 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.536 -177.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.535 ' HA ' ' H ' ' A' ' 112' ' ' SER . 0.1 OUTLIER -43.29 159.85 0.22 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.452 179.195 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -55.07 -48.72 19.51 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.857 2.371 . . . . 1.0 111.929 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -46.83 -26.14 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.415 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.883 ' ND1' HG21 ' A' ' 135' ' ' VAL . 35.9 t-80 -87.48 -40.52 14.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.282 177.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.404 HG13 ' CG2' ' A' ' 106' ' ' VAL . 66.8 t -48.38 -47.21 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.531 178.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.518 ' CD2' ' OG ' ' A' ' 145' ' ' SER . 84.1 t60 -65.77 -39.35 90.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.347 178.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -46.9 -55.61 7.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.436 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 143' ' ' LEU . 94.0 mt -66.39 -50.38 63.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.415 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -56.87 -40.56 76.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.494 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . 0.518 ' OG ' ' CD2' ' A' ' 141' ' ' HIS . 45.6 m -54.1 -27.35 32.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.495 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 47.5 mtt -89.68 2.75 54.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.395 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 66.53 22.41 71.44 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 179.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.539 HG12 ' O ' ' A' ' 150' ' ' SER . 3.2 t -107.51 119.23 56.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.678 0.275 . . . . 1.0 110.718 178.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -78.89 -34.64 44.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.274 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . 0.539 ' O ' HG12 ' A' ' 148' ' ' VAL . 96.0 p -107.57 150.7 26.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.105 -177.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.4 t -146.94 104.21 3.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.928 0.394 . . . . 1.0 111.092 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 55.6 tp -97.28 132.43 43.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.993 -0.549 . . . . 1.0 109.985 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.524 HG22 ' HD3' ' A' ' 155' ' ' PRO . 8.5 p -128.44 151.4 35.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.035 0.445 . . . . 1.0 111.227 -179.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.426 ' O ' ' HB3' ' A' ' 166' ' ' LEU . 48.1 t -152.9 74.63 6.97 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.756 -0.657 . . . . 1.0 109.933 -178.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' PRO . . . . . 0.524 ' HD3' HG22 ' A' ' 153' ' ' VAL . 53.9 Cg_exo -48.7 157.67 1.43 Allowed 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.915 2.41 . . . . 1.0 112.703 -179.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 25.8 mt -117.19 101.05 8.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.199 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 35.3 mtp -106.31 125.35 50.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.776 -178.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . 0.425 ' HB3' ' CD1' ' A' ' 163' ' ' TRP . 12.0 t60 -106.78 122.53 46.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.386 177.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.442 ' CG ' ' N ' ' A' ' 160' ' ' GLN . 84.1 t60 59.69 -104.44 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.376 -178.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . 0.442 ' N ' ' CG ' ' A' ' 159' ' ' HIS . 1.4 tt0 -121.48 1.85 10.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.451 -179.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 162' ' ' LEU . 32.5 tp10 -117.51 158.51 24.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.602 -176.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.433 ' N ' ' HG3' ' A' ' 161' ' ' GLU . 6.1 tt -103.44 122.5 45.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.472 177.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' TRP . . . . . 0.425 ' CD1' ' HB3' ' A' ' 158' ' ' HIS . 74.2 m95 -106.31 -40.9 5.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.888 -176.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -136.82 173.3 22.19 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.177 -0.769 . . . . 1.0 111.177 -177.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 54' ' ' TYR . 11.1 tp -145.41 118.56 8.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 1.0 110.386 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.426 ' HB3' ' O ' ' A' ' 154' ' ' VAL . 29.5 tp -96.58 140.19 31.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.516 178.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 7.3 p -146.21 141.21 21.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.672 -177.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.47 143.95 51.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.431 178.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' HIS . . . . . 0.629 ' ND1' ' N ' ' A' ' 169' ' ' HIS . 0.0 OUTLIER -146.82 140.47 25.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.76 -179.462 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . 0.748 ' CD2' ' H ' ' A' ' 171' ' ' ALA . 11.0 t-80 -172.03 164.35 6.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.467 -179.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.748 ' H ' ' CD2' ' A' ' 170' ' ' HIS . . . -47.9 171.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.619 177.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -59.96 107.52 1.05 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.594 -178.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 171' ' ' ALA . 75.4 Cg_endo -93.13 -97.98 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.871 2.381 . . . . 1.0 112.045 178.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.543 ' NE ' ' O ' ' A' ' 175' ' ' PRO . 0.0 OUTLIER -154.84 157.53 32.02 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.517 179.365 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . 0.543 ' O ' ' NE ' ' A' ' 174' ' ' ARG . 54.5 Cg_exo -49.98 165.54 0.32 Allowed 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.839 2.359 . . . . 1.0 111.99 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -109.99 130.42 55.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.596 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 56.2 p -95.94 149.47 21.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.548 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -65.15 -36.34 83.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.55 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -64.37 -56.13 16.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.504 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.42 -32.41 74.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.47 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 26.2 tp -57.62 -40.39 79.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.341 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -63.58 -48.63 76.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.384 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 47.9 t -42.77 -53.5 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.146 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . 0.406 HG12 ' H ' ' A' ' 184' ' ' VAL . 4.8 p -74.36 -35.42 39.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.154 -178.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -48.04 -40.01 21.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.061 178.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 19.9 tp -73.34 -34.61 65.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.038 178.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 14.6 tp -56.03 -32.38 63.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.08 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -74.18 -39.44 63.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.113 178.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -56.19 -38.9 71.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.217 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -54.48 -54.43 41.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.188 178.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 86.5 t -55.99 -43.06 73.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.141 178.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 3.8 m -49.44 -33.74 14.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.179 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 71.7 mt -80.93 -32.65 12.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.118 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . 0.421 ' O ' ' HB2' ' A' ' 198' ' ' ALA . . . -70.69 -46.43 63.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.255 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 8.5 tp -65.03 -35.06 74.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.173 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . 0.404 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.55 -56.64 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.365 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -58.04 -25.57 61.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.378 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . 0.421 ' HB2' ' O ' ' A' ' 194' ' ' ALA . . . -74.82 -36.76 62.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.382 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -52.78 -38.41 61.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.396 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 47.3 tp -58.29 -60.2 4.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.441 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 89.4 p -64.75 -48.39 74.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.496 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 8.9 tp . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.027 -0.987 . . . . 1.0 110.563 179.744 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.629 HD12 ' N ' ' A' ' 31' ' ' LEU . 7.6 mp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.801 0.334 . . . . 1.0 110.547 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.429 ' OD1' HG11 ' A' ' 65' ' ' VAL . 84.2 m-20 -55.3 -32.98 62.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.579 -179.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -77.64 -54.39 6.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.49 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.682 HD13 ' O ' ' A' ' 34' ' ' ILE . 0.3 OUTLIER -59.94 -30.18 44.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.563 -177.892 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.497 ' O ' ' OG1' ' A' ' 38' ' ' THR . 83.2 mt -73.85 -33.35 64.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.646 -178.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -55.42 -36.91 66.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.546 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.86 -25.73 53.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.585 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 34' ' ' ILE . 68.9 p -73.69 -43.87 58.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.616 178.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.588 HG21 ' HB3' ' A' ' 66' ' ' ALA . 58.2 t -59.83 -40.9 83.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.676 179.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -71.29 -38.0 71.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.589 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -64.0 -44.18 93.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.514 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 38' ' ' THR . 91.7 t -65.31 -48.06 84.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.486 -179.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.687 HH11 ' N ' ' A' ' 69' ' ' ARG . 43.7 ttp180 -47.32 -43.5 22.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.54 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.47 -36.27 77.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.537 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -76.76 -50.34 13.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.503 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.546 ' O ' ' N ' ' A' ' 48' ' ' THR . 32.0 mt -80.57 -2.78 47.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.624 179.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.57 22.29 0.05 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.929 -0.868 . . . . 1.0 110.929 177.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.546 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.2 m -73.54 138.23 44.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.814 0.34 . . . . 1.0 110.6 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.484 ' CG ' ' ND1' ' A' ' 170' ' ' HIS . 89.4 m-20 -52.72 -39.41 62.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.616 -177.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.534 ' NH1' ' OE2' ' A' ' 67' ' ' GLU . 51.8 ttm-85 -146.53 128.13 15.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.003 -177.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.0 p -145.52 140.76 22.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.906 -0.588 . . . . 1.0 109.849 177.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.6 pttm -146.28 164.66 31.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.001 0.429 . . . . 1.0 111.245 -177.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.5 p -105.99 137.42 36.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.687 -0.688 . . . . 1.0 109.88 178.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.404 ' CZ ' ' HA3' ' A' ' 62' ' ' GLY . 13.3 t80 -120.51 121.0 37.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.903 0.382 . . . . 1.0 111.236 -177.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.466 ' HG3' ' H ' ' A' ' 56' ' ' PHE . 4.8 tpt180 -95.32 163.53 13.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.002 -0.545 . . . . 1.0 109.865 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . 0.466 ' H ' ' HG3' ' A' ' 55' ' ' ARG . 86.3 t80 -129.95 146.5 51.65 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.731 -0.388 . . . . 1.0 110.936 -178.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 9.2 t70 -117.14 133.11 23.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.29 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -43.47 -30.47 2.54 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.781 2.321 . . . . 1.0 112.071 178.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -72.48 -11.35 60.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.436 -178.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 100.43 16.21 27.71 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.753 -0.939 . . . . 1.0 110.753 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.478 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 80.0 m-70 -112.93 138.6 49.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.839 0.352 . . . . 1.0 110.721 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.404 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -132.57 154.15 20.95 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.656 -0.978 . . . . 1.0 110.656 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 82.8 p -138.91 159.14 42.84 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.947 -0.301 . . . . 1.0 110.783 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.578 HG23 ' H ' ' A' ' 79' ' ' GLY . 0.2 OUTLIER -100.73 110.93 28.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.17 175.789 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.429 HG11 ' OD1' ' A' ' 32' ' ' ASP . 23.9 m -95.18 3.28 9.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.798 -176.117 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.588 ' HB3' HG21 ' A' ' 39' ' ' VAL . . . -163.81 153.17 14.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.878 0.37 . . . . 1.0 110.952 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.534 ' OE2' ' NH1' ' A' ' 50' ' ' ARG . 58.9 tt0 -164.49 123.09 1.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.306 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -122.07 141.73 51.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.813 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.687 ' N ' HH11 ' A' ' 43' ' ' ARG . 0.0 OUTLIER -133.3 143.17 48.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.064 -0.517 . . . . 1.0 110.459 179.281 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -95.06 -81.45 1.55 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.884 -0.886 . . . . 1.0 110.884 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.23 0.1 81.1 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.802 -0.919 . . . . 1.0 110.802 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 55.86 56.7 5.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.8 0.333 . . . . 1.0 110.537 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.477 ' NH2' ' C ' ' A' ' 170' ' ' HIS . 18.0 ttp180 -79.25 -57.23 3.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.559 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.436 ' HB2' ' HE ' ' A' ' 50' ' ' ARG . 12.0 mt -90.78 167.19 16.85 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.497 178.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -79.0 171.28 16.66 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.761 2.307 . . . . 1.0 112.132 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.5 p -88.81 132.15 34.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.731 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.9 mt -108.15 -10.86 15.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.481 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.8 tp -41.94 136.7 2.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.534 -177.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.578 ' H ' HG23 ' A' ' 64' ' ' VAL . . . 92.03 -0.73 72.98 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 179.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.6 HD22 ' CZ ' ' A' ' 82' ' ' PHE . 4.5 tt -95.89 130.11 42.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 1.0 110.563 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.501 ' O ' HG23 ' A' ' 81' ' ' THR . 10.0 t -95.96 124.8 40.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.588 178.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.6 ' CZ ' HD22 ' A' ' 80' ' ' LEU . 16.4 m-85 -98.83 141.82 23.55 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.544 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.13 139.38 18.96 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.812 2.341 . . . . 1.0 112.222 177.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.05 -32.94 64.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.672 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.94 -23.22 3.47 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -56.08 -32.7 64.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.806 0.336 . . . . 1.0 110.541 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 7.9 mt -133.39 97.75 15.87 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.474 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.509 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 94.0 Cg_exo -39.74 -92.44 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.776 2.317 . . . . 1.0 112.169 -179.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.509 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 79.3 tt0 -174.61 -28.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.541 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 93' ' ' ARG . 16.2 pt-20 -64.08 -38.47 91.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.544 -178.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.7 -33.51 76.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.568 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.479 HH21 HH22 ' A' ' 93' ' ' ARG . 61.5 ttp180 -69.87 -23.63 63.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.531 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.479 HH22 HH21 ' A' ' 92' ' ' ARG . 13.8 mmp_? -57.78 -56.83 16.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.454 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.645 ' O ' ' N ' ' A' ' 98' ' ' ALA . 9.4 mt -50.53 -41.27 53.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.503 179.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -63.07 -25.26 68.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.764 178.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.534 ' C ' HD12 ' A' ' 97' ' ' LEU . 58.0 mtp180 -90.24 -28.94 18.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.593 -178.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.534 HD12 ' C ' ' A' ' 96' ' ' ARG . 11.0 mp -106.76 -44.77 4.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.231 -177.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.645 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -87.43 -27.37 22.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.466 -176.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.467 ' C ' ' O ' ' A' ' 98' ' ' ALA . 89.2 mt-30 35.25 61.23 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.362 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.626 HG13 ' N ' ' A' ' 101' ' ' ARG . 8.7 p -115.42 -49.05 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.837 177.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.626 ' N ' HG13 ' A' ' 100' ' ' VAL . 0.1 OUTLIER 56.95 66.37 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.307 173.744 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.593 ' C ' HD12 ' A' ' 103' ' ' ILE . 67.2 t -144.51 124.39 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.575 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.753 HD12 ' N ' ' A' ' 103' ' ' ILE . 2.5 mp -109.52 131.73 59.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.727 178.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.444 HG22 ' H ' ' A' ' 104' ' ' VAL . 0.2 OUTLIER -84.72 172.5 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.257 -177.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 105' ' ' ASP . 0.5 OUTLIER -51.82 120.36 5.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.466 -178.329 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.8 m -58.05 -8.2 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.558 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -81.27 -31.74 33.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.335 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.22 -13.11 4.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.381 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 49.88 57.67 6.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.719 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.6 t -94.12 138.8 31.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.38 175.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -122.41 135.97 54.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.869 -176.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.417 ' O ' ' CG ' ' A' ' 136' ' ' ASP . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.207 177.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.701 0.286 . . . . 1.0 110.521 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -130.36 84.58 59.18 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.633 -178.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -50.02 146.39 17.2 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.76 2.307 . . . . 1.0 111.937 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.449 ' HB ' ' CD2' ' A' ' 139' ' ' HIS . 16.7 t -128.62 135.59 62.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.515 179.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.417 ' CG ' ' O ' ' A' ' 112' ' ' SER . 21.2 m-20 -44.13 155.86 0.33 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.405 -179.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' PRO . . . . . 0.403 ' O ' ' HB ' ' A' ' 140' ' ' VAL . 52.8 Cg_exo -51.48 -11.21 0.63 Allowed 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.828 2.352 . . . . 1.0 111.915 178.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -56.27 -44.65 79.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.419 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' HIS . . . . . 0.546 ' CD2' ' N ' ' A' ' 140' ' ' VAL . 0.1 OUTLIER -83.51 -23.6 32.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.296 -177.741 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.546 ' N ' ' CD2' ' A' ' 139' ' ' HIS . 4.8 t -50.18 -64.36 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.496 -179.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' HIS . . . . . 0.415 ' N ' HG12 ' A' ' 140' ' ' VAL . 38.9 m-70 -63.76 -42.66 97.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.454 178.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -49.95 -55.32 14.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.452 178.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' LEU . . . . . 0.405 HD22 ' ND1' ' A' ' 139' ' ' HIS . 8.9 mp -64.88 -53.55 44.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.395 179.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -55.15 -41.33 71.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.465 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.8 t -54.02 -26.25 25.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.516 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 34.9 mtt -92.22 -1.88 56.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.442 177.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 69.7 24.34 76.33 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.871 -0.892 . . . . 1.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 148' ' ' VAL . 2.9 m -112.22 120.18 61.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 1.0 110.62 179.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -91.45 -12.58 34.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.272 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 39.1 t -113.17 144.81 42.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.105 -179.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.17 97.22 2.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 1.0 111.076 178.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 56.7 tp -98.96 134.25 42.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.034 -0.53 . . . . 1.0 109.99 178.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . 0.623 HG13 ' HB3' ' A' ' 101' ' ' ARG . 1.3 p -128.71 151.41 35.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.092 0.473 . . . . 1.0 111.211 -177.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' VAL . . . . . 0.412 ' CG2' ' C ' ' A' ' 153' ' ' VAL . 1.5 t -150.74 100.04 3.11 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.688 -0.687 . . . . 1.0 109.999 -179.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.23 151.08 33.77 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.966 2.444 . . . . 1.0 112.675 -173.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 34.1 mt -118.28 95.36 4.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.181 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.422 ' O ' ' OG ' ' A' ' 192' ' ' SER . 21.5 ptm -111.81 135.31 52.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.723 -177.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' HIS . . . . . 0.475 ' O ' ' HB3' ' A' ' 159' ' ' HIS . 38.9 t60 -116.13 121.5 42.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.419 177.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' HIS . . . . . 0.683 ' CE1' HE21 ' A' ' 160' ' ' GLN . 15.4 t-80 77.2 -113.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.406 -177.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . 0.683 HE21 ' CE1' ' A' ' 159' ' ' HIS . 1.5 mp0 -121.58 6.63 10.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.396 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.509 ' N ' ' OE1' ' A' ' 161' ' ' GLU . 37.7 mp0 -117.77 161.55 19.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.526 -176.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' LEU . . . . . 0.535 HD12 ' N ' ' A' ' 162' ' ' LEU . 6.4 mp -106.58 126.01 51.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.442 177.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' TRP . . . . . 0.422 ' HE1' ' HB3' ' A' ' 158' ' ' HIS . 84.1 m95 -104.0 -40.13 6.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.919 -176.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -141.77 175.61 22.44 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.279 -0.728 . . . . 1.0 111.279 -177.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 5.2 tp -148.96 141.19 24.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.787 0.327 . . . . 1.0 110.381 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' LEU . . . . . 0.466 ' O ' HG23 ' A' ' 153' ' ' VAL . 8.2 tp -112.44 147.59 36.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.652 178.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 69.2 t -151.89 136.6 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.722 -179.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.4 143.27 49.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.377 179.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -130.14 137.4 50.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.748 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' HIS . . . . . 0.742 ' CD2' ' N ' ' A' ' 171' ' ' ALA . 49.1 t60 -169.91 172.41 6.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.475 -178.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.742 ' N ' ' CD2' ' A' ' 170' ' ' HIS . . . -50.19 -157.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.544 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -44.94 144.71 1.84 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.644 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -84.79 -179.05 3.51 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.84 2.36 . . . . 1.0 112.047 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 71.5 mtt85 -150.55 148.69 24.37 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.44 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.27 139.15 76.03 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.739 2.293 . . . . 1.0 112.047 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -105.48 123.15 47.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.646 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 50.5 m -65.18 146.15 55.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.533 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -63.36 -34.95 78.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.457 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -68.01 -41.87 81.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.516 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -78.78 -28.46 44.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.437 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 21.5 tp -60.28 -50.18 74.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.36 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 182' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 183' ' ' VAL . 13.5 pt20 -60.92 -44.96 96.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.435 -179.033 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 183' ' ' VAL . . . . . 0.422 ' N ' ' HG3' ' A' ' 182' ' ' GLN . 53.4 t -44.44 -55.25 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.173 -179.284 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 23.7 m -74.49 -34.91 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.199 -178.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -47.23 -40.13 15.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.025 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 79.5 mt -73.68 -34.08 64.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.047 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 6.6 tt -56.62 -33.97 66.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.033 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -73.79 -37.83 64.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.138 178.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -59.91 -38.38 82.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.184 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -55.19 -55.06 35.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.199 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 38.9 t -55.15 -44.88 76.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.136 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 192' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 157' ' ' MET . 8.4 t -49.63 -34.1 17.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.076 179.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 70.4 mt -81.71 -31.76 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.126 178.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -68.53 -45.83 71.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.221 -179.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 2.3 pp -68.42 -27.39 36.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.196 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 196' ' ' ALA . . . . . 0.434 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -76.19 -57.59 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.357 178.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -57.49 -24.88 58.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.4 179.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -75.11 -35.57 61.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.445 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -54.84 -39.33 68.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.467 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 46.5 tp -59.76 -61.31 2.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.498 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 83.6 p -60.33 -45.69 92.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.503 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 202' ' ' LEU . . . . . 0.421 HD22 HD13 ' A' ' 31' ' ' LEU . 12.8 tp . . . . . 0 C--O 1.221 -0.411 0 CA-C-O 117.946 -1.026 . . . . 1.0 110.496 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 tt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.838 0.352 . . . . 1.0 110.533 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.486 ' OD1' ' N ' ' A' ' 33' ' ' GLN . 33.1 p-10 -57.48 -38.75 75.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.525 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.486 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 96.2 mt-30 -70.47 -53.18 17.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.494 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.602 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.7 mp -50.62 -49.2 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.629 -178.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.572 HD21 HG22 ' A' ' 195' ' ' ILE . 89.7 mt -58.19 -31.27 67.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.597 -177.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.598 ' O ' HG12 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -51.75 -39.05 57.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.6 179.516 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.29 -24.21 37.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.619 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 42.2 p -72.86 -46.26 53.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.618 178.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 36' ' ' ARG . 3.8 p -52.62 -40.41 33.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.706 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.48 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 10.6 pt-20 -79.32 -34.19 42.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.622 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -62.51 -53.67 51.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.541 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.7 t -61.02 -44.51 98.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.488 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.5 ttm180 -46.76 -41.75 15.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.474 179.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.23 -40.62 94.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.531 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -72.94 -52.45 14.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.546 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.583 ' O ' ' N ' ' A' ' 48' ' ' THR . 20.3 mt -78.75 -0.65 31.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.505 179.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.4 20.62 0.03 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.929 -0.869 . . . . 1.0 110.929 178.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.583 ' N ' ' O ' ' A' ' 46' ' ' LEU . 2.6 m -73.93 138.43 44.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.361 . . . . 1.0 110.57 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.575 ' O ' ' N ' ' A' ' 70' ' ' GLY . 2.7 p-10 -64.34 -32.24 73.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.6 -176.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.646 HH12 ' NZ ' ' A' ' 52' ' ' LYS . 66.2 ttp85 -138.53 123.7 19.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.967 0.413 . . . . 1.0 111.013 -176.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.491 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 3.1 t -143.91 133.71 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.876 -0.602 . . . . 1.0 109.855 176.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.646 ' NZ ' HH12 ' A' ' 50' ' ' ARG . 23.8 pttm -141.55 155.12 45.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.975 0.417 . . . . 1.0 111.261 -178.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 79.4 t -103.8 139.06 25.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.75 -0.659 . . . . 1.0 109.891 178.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.415 ' HB2' HBB1 ' A' ' 301' ' ' CYC . 20.4 t80 -122.75 118.89 29.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.934 0.397 . . . . 1.0 111.172 -178.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -95.42 163.29 13.3 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.971 -0.559 . . . . 1.0 109.959 178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.526 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 89.6 t80 -129.56 147.25 51.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.978 0.418 . . . . 1.0 110.842 -177.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.536 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 0.6 OUTLIER -117.61 148.85 43.84 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.888 -0.596 . . . . 1.0 110.355 179.522 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -59.73 -27.52 85.13 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.744 2.296 . . . . 1.0 112.051 -179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -74.57 -8.38 56.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.43 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.08 21.94 21.55 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.79 -0.924 . . . . 1.0 110.79 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 75.5 m80 -116.26 138.88 50.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.877 0.37 . . . . 1.0 110.736 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.571 ' O ' HG23 ' A' ' 81' ' ' THR . . . -129.39 149.85 18.75 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.629 -0.989 . . . . 1.0 110.629 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 24.4 p -132.91 153.9 50.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 1.0 110.738 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.8 t -95.95 113.97 31.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.167 176.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.447 HG21 HD12 ' A' ' 35' ' ' LEU . 11.2 m -100.95 2.79 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.849 -177.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.401 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -163.16 150.38 12.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.908 0.385 . . . . 1.0 110.911 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 87.9 tt0 -168.18 128.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.269 -179.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.481 ' O ' ' HA ' ' A' ' 50' ' ' ARG . . . -119.62 152.3 37.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.841 177.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 75.3 mtm180 -133.85 141.59 47.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.467 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -92.9 -103.23 1.56 Allowed Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.801 -0.92 . . . . 1.0 110.801 179.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -71.93 16.36 1.54 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.79 -0.924 . . . . 1.0 110.79 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.499 ' H ' ' C ' ' A' ' 70' ' ' GLY . 47.3 mp0 50.88 53.93 12.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.782 0.325 . . . . 1.0 110.562 -179.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.643 ' NH1' ' N ' ' A' ' 171' ' ' ALA . 8.3 ptm180 -85.75 -15.27 42.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.532 177.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.3 mt -132.33 152.79 80.72 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.484 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -72.5 169.15 22.47 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.807 2.338 . . . . 1.0 112.114 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.3 p -84.35 117.52 23.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.648 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.489 ' H ' ' CD ' ' A' ' 67' ' ' GLU . 54.0 mt -92.33 -12.98 30.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.434 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.53 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 12.9 tp -47.45 138.14 7.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.513 -178.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.98 -0.64 73.04 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 87.6 mt -98.29 132.37 43.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.768 0.318 . . . . 1.0 110.54 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 62' ' ' GLY . 17.3 m -94.71 123.26 38.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.571 177.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -92.98 138.03 23.51 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.55 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.405 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 73.5 Cg_endo -76.75 140.64 21.02 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.873 2.382 . . . . 1.0 112.144 179.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.29 -34.62 72.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.68 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.33 -24.81 3.88 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' A' ' 87' ' ' ILE . 54.3 p30 -53.9 -24.0 14.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 1.0 110.613 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.546 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 27.6 mt -141.99 131.75 12.49 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.552 179.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.07 -93.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.836 2.357 . . . . 1.0 112.173 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.432 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 19.7 pt-20 -166.69 -48.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.552 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.432 ' N ' ' CG ' ' A' ' 89' ' ' GLU . 18.8 pt-20 -47.35 -39.28 14.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.578 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.665 ' HB2' HBD2 ' A' ' 301' ' ' CYC . . . -68.23 -43.34 78.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.599 179.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.433 ' O ' ' HB2' ' A' ' 95' ' ' PHE . 75.7 ttt-85 -63.08 -27.25 69.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.608 -178.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -55.09 -47.45 74.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.511 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.732 ' H ' HD12 ' A' ' 94' ' ' LEU . 7.0 mp -53.87 -37.02 63.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.523 179.258 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.665 ' HD1' ' H ' ' A' ' 95' ' ' PHE . 2.2 m-85 -61.06 -19.73 61.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.74 178.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.569 ' C ' HD12 ' A' ' 97' ' ' LEU . 46.9 mtp85 -94.57 -33.26 13.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.739 -178.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.608 HD12 ' N ' ' A' ' 97' ' ' LEU . 10.3 mp -106.4 -39.83 5.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.258 -177.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.622 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -81.29 -33.01 32.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.417 -176.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.595 ' NE2' ' SD ' ' A' ' 157' ' ' MET . 33.0 mm-40 31.73 57.27 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.31 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.629 HG13 ' N ' ' A' ' 101' ' ' ARG . 8.6 p -146.24 -49.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.807 177.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.641 ' NE ' ' CZ ' ' A' ' 95' ' ' PHE . 16.7 mmm180 45.82 98.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.351 -0.386 . . . . 1.0 110.275 174.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 102' ' ' VAL . 10.5 p -142.32 129.41 19.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.596 177.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 12.4 mt -110.57 130.92 63.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.714 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.699 HG12 ' N ' ' A' ' 105' ' ' ASP . 47.5 t -85.33 171.53 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.344 179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.699 ' N ' HG12 ' A' ' 104' ' ' VAL . 30.6 t0 -49.02 118.92 2.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.402 -0.363 . . . . 1.0 110.49 -178.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 14.8 m -56.5 -8.83 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.604 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -76.52 -33.25 58.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.282 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.57 -13.78 10.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.311 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 49.48 62.93 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.719 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.7 p -85.66 139.47 31.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.325 175.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 76.4 mtp85 -122.53 129.68 52.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.85 -177.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.831 ' C ' HD13 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -141.54 116.58 9.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.25 178.141 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.831 HD13 ' C ' ' A' ' 112' ' ' SER . 0.0 OUTLIER -117.83 -167.53 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.743 -179.718 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 70.8 m -76.49 173.63 11.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.699 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -132.89 149.95 74.32 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.469 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 117' ' ' GLU . 63.2 Cg_endo -73.71 119.94 6.17 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.838 2.359 . . . . 1.0 112.179 179.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 116' ' ' PRO . 47.1 mp0 39.0 81.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.614 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 35.8 m -143.95 53.9 1.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.628 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -57.29 -33.91 68.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.581 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 63.55 100.8 0.01 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 17.5 tp -94.59 128.38 41.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.794 0.331 . . . . 1.0 110.541 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 82.4 p -153.21 153.95 33.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.617 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -76.43 -58.79 3.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.515 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 179.95 85.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.556 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 43.9 t -121.21 93.26 48.81 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.52 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -51.24 141.45 39.4 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.769 2.313 . . . . 1.0 112.096 179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.694 HD12 ' N ' ' A' ' 127' ' ' LEU . 8.0 mp 55.28 -116.22 1.02 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.608 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 69.84 32.84 70.28 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.884 -0.887 . . . . 1.0 110.884 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.19 174.01 4.44 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 1.0 110.602 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -46.29 157.69 0.41 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.892 2.395 . . . . 1.0 112.135 179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 44.7 mt -69.58 -7.85 42.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.349 -179.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . 0.403 ' NE2' ' CG2' ' A' ' 104' ' ' VAL . 6.0 mm100 -130.21 163.0 27.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.473 179.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -123.36 82.16 52.72 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.619 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -51.22 142.87 34.94 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.738 2.292 . . . . 1.0 112.032 178.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.421 ' HB ' ' CD2' ' A' ' 139' ' ' HIS . 8.4 t -129.36 137.66 56.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.511 -179.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.641 ' OD2' HAD2 ' A' ' 301' ' ' CYC . 0.0 OUTLIER -45.01 158.7 0.28 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.47 179.751 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.29 -10.67 1.38 Allowed 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.794 2.329 . . . . 1.0 111.939 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.412 ' SG ' ' CHD' ' A' ' 301' ' ' CYC . 0.1 OUTLIER -57.29 -43.21 82.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.373 179.411 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.607 ' CD2' ' N ' ' A' ' 140' ' ' VAL . 0.1 OUTLIER -82.23 -27.86 32.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.234 -178.096 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.607 ' N ' ' CD2' ' A' ' 139' ' ' HIS . 9.8 t -48.31 -64.87 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.551 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.447 ' O ' ' N ' ' A' ' 145' ' ' SER . 84.2 t60 -62.97 -40.93 99.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.462 178.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -49.65 -58.61 4.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.486 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.403 ' O ' HG22 ' A' ' 148' ' ' VAL . 10.3 mp -63.1 -54.5 36.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.373 179.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.44 -41.41 66.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.473 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 141' ' ' HIS . 40.0 t -54.76 -28.49 49.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.41 178.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 40.5 mtt -88.22 -2.83 58.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.469 177.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.547 ' O ' ' NH2' ' A' ' 73' ' ' ARG . . . 70.22 23.4 77.32 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.881 -0.888 . . . . 1.0 110.881 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 148' ' ' VAL . 9.0 m -107.82 114.28 45.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.789 0.328 . . . . 1.0 110.654 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -77.02 -31.97 56.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.269 -178.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 95.9 p -109.48 152.21 25.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.903 -0.589 . . . . 1.0 110.101 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 4.2 t -149.93 104.71 3.32 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.719 -0.392 . . . . 1.0 111.082 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 62.6 tp -100.84 116.36 32.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.009 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.475 ' CG2' ' N ' ' A' ' 154' ' ' VAL . 1.3 p -118.17 155.09 20.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.051 0.453 . . . . 1.0 111.183 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.475 ' N ' ' CG2' ' A' ' 153' ' ' VAL . 1.4 t -151.81 121.78 3.54 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 115.677 -0.692 . . . . 1.0 109.912 -177.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . 0.404 ' HA ' HD12 ' A' ' 165' ' ' LEU . 89.0 Cg_endo -79.8 144.6 17.38 Favored 'Trans proline' 0 C--N 1.306 -1.703 0 C-N-CA 122.924 2.416 . . . . 1.0 112.706 -176.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 46.3 mt -115.66 95.43 5.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.218 177.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.595 ' SD ' ' NE2' ' A' ' 99' ' ' GLN . 18.5 ptm -113.65 136.54 52.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.8 -178.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . 0.583 ' ND1' ' CD2' ' A' ' 159' ' ' HIS . 4.8 t-80 -115.7 124.05 49.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.389 177.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.583 ' CD2' ' ND1' ' A' ' 158' ' ' HIS . 68.7 m-70 67.51 -109.61 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.329 -177.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -121.72 4.43 10.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.422 -179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -117.02 161.18 19.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.575 -177.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.401 ' HB3' HH21 ' A' ' 92' ' ' ARG . 9.0 tp -105.36 123.21 47.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.469 177.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 90.2 m95 -102.61 -43.64 5.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.882 -176.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -142.85 176.99 22.15 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.258 -0.737 . . . . 1.0 111.258 -177.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 155' ' ' PRO . 4.8 tp -145.45 129.34 17.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.687 0.279 . . . . 1.0 110.425 -179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 38.6 tp -101.0 140.86 34.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.621 178.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.4 HG11 HBB2 ' A' ' 301' ' ' CYC . 8.6 p -147.49 148.65 16.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.793 -179.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.18 144.42 44.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.381 179.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . 0.502 ' HB3' HG11 ' A' ' 148' ' ' VAL . 95.7 m-70 -143.34 142.4 31.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.786 178.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . 0.725 ' CD2' ' H ' ' A' ' 171' ' ' ALA . 17.6 t-80 -172.48 167.82 5.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.475 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.725 ' H ' ' CD2' ' A' ' 170' ' ' HIS . . . -61.95 179.31 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.63 177.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -46.99 97.84 0.16 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.591 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . 0.472 ' CD ' ' O ' ' A' ' 171' ' ' ALA . 91.6 Cg_endo -97.27 32.89 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.87 2.38 . . . . 1.0 112.09 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.425 ' O ' ' O ' ' A' ' 173' ' ' PRO . 71.6 mtt180 57.44 155.78 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.578 -179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -53.73 160.53 5.46 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.809 2.34 . . . . 1.0 112.056 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -114.13 139.5 49.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.634 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 23.0 t -89.67 142.07 28.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.601 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -63.72 -37.09 86.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.558 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 42.5 tp10 -59.99 -49.7 76.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.448 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -68.06 -32.54 72.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.418 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 26.9 tp -57.89 -42.33 84.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.396 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -58.58 -52.57 65.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.364 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 59.7 t -42.25 -45.63 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.158 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 91.0 t -74.88 -36.96 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.092 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -47.72 -40.52 20.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.062 178.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . 0.492 HD12 ' N ' ' A' ' 186' ' ' LEU . 11.2 mp -73.2 -34.78 66.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.035 177.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 23.6 tp -57.19 -32.78 66.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.065 178.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . 0.425 ' O ' ' CG2' ' A' ' 191' ' ' VAL . . . -74.54 -28.18 60.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.105 178.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . 0.425 ' O ' ' OG ' ' A' ' 192' ' ' SER . 74.9 m-20 -71.64 -41.2 69.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.149 179.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -54.22 -58.0 9.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.153 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' A' ' 188' ' ' ALA . 14.0 m -52.73 -42.04 40.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.099 179.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 189' ' ' ASP . 3.1 p -47.14 -29.45 2.27 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.053 -0.522 . . . . 1.0 110.108 178.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 12.6 mm -79.5 -38.8 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.159 178.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -66.37 -47.92 71.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.255 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . 0.572 HG22 HD21 ' A' ' 35' ' ' LEU . 8.8 pt -65.51 -36.53 77.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.346 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.451 ' HB2' ' CD2' ' A' ' 158' ' ' HIS . . . -68.44 -51.97 37.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.31 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -61.38 -24.08 66.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.377 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -74.21 -36.51 63.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.397 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -56.74 -40.6 76.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.413 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 10.5 tp -61.83 -59.77 4.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.513 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 20.8 t -61.42 -47.04 87.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.511 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.534 HD23 ' C ' ' A' ' 202' ' ' LEU . 2.7 tt . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.035 -0.983 . . . . 1.0 110.558 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 301' ' ' CYC . . . . . 0.665 HBD2 ' HB2' ' A' ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 mt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.709 0.29 . . . . 1.0 110.538 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.1 p-10 -59.26 -34.27 72.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.615 -179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -76.57 -54.81 6.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.542 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.722 HD13 ' O ' ' A' ' 34' ' ' ILE . 0.3 OUTLIER -61.01 -31.31 49.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.575 -178.824 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.596 ' O ' HG22 ' A' ' 38' ' ' THR . 86.5 mt -78.2 -20.71 51.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.661 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 52.2 ttm-85 -70.96 -31.58 68.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.637 178.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.8 -27.3 26.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.618 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.596 HG22 ' O ' ' A' ' 35' ' ' LEU . 2.5 t -77.94 -42.52 32.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.642 -179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.521 ' N ' ' CG2' ' A' ' 38' ' ' THR . 11.5 p -57.77 -39.76 72.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.661 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.477 ' N ' HG13 ' A' ' 39' ' ' VAL . 25.6 pt-20 -77.27 -33.17 55.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.612 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -64.47 -44.74 90.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.512 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.5 t -63.82 -48.69 85.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.476 179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.576 ' O ' ' N ' ' A' ' 47' ' ' GLY . 41.6 ttp180 -47.46 -41.35 20.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.481 179.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.09 -37.78 83.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.516 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -75.66 -51.22 13.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.547 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.63 ' N ' HD12 ' A' ' 46' ' ' LEU . 8.3 mp -80.23 -2.9 46.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.508 179.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.576 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 41.92 21.37 0.07 OUTLIER Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.997 -0.841 . . . . 1.0 110.997 178.002 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.643 ' HG1' ' CE1' ' A' ' 170' ' ' HIS . 1.2 m -73.51 138.44 45.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.78 0.324 . . . . 1.0 110.622 179.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -53.11 -40.33 64.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.573 -177.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.468 ' H ' HG22 ' A' ' 48' ' ' THR . 52.8 ttp180 -144.78 127.44 16.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.981 0.42 . . . . 1.0 111.011 -176.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 9.0 p -144.32 137.68 23.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.823 -0.626 . . . . 1.0 109.862 176.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.412 ' HG2' ' HZ3' ' A' ' 52' ' ' LYS . 23.8 pttm -143.67 166.1 25.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.146 0.498 . . . . 1.0 111.285 -177.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.764 HG12 ' HB3' ' A' ' 66' ' ' ALA . 9.8 p -109.51 139.24 33.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.681 -0.691 . . . . 1.0 109.81 178.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.651 ' HB2' HBB1 ' A' ' 301' ' ' CYC . 15.7 t80 -121.34 120.62 35.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.868 0.366 . . . . 1.0 111.198 -178.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -94.44 164.6 12.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.009 -0.541 . . . . 1.0 109.936 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -130.56 144.93 51.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.901 0.381 . . . . 1.0 110.911 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.421 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 14.7 t70 -116.62 135.76 23.01 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.373 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -44.68 -29.42 3.43 Favored 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.764 2.309 . . . . 1.0 112.082 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -73.94 -8.83 57.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.383 -178.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' A' ' 84' ' ' ALA . . . 101.59 -11.14 57.93 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.781 -0.928 . . . . 1.0 110.781 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.421 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 99.7 m-70 -85.49 140.76 30.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.911 0.386 . . . . 1.0 110.704 -179.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -132.59 154.55 21.14 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.608 -0.997 . . . . 1.0 110.608 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.457 HG22 HG22 ' A' ' 81' ' ' THR . 73.3 p -137.35 157.59 46.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.802 0.334 . . . . 1.0 110.786 -178.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 8.8 t -101.02 115.5 42.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.144 176.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.9 m -102.75 4.0 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.806 -175.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.764 ' HB3' HG12 ' A' ' 53' ' ' VAL . . . -159.12 148.47 18.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.925 0.393 . . . . 1.0 110.86 -179.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -166.76 124.94 1.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.947 -0.57 . . . . 1.0 110.298 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -124.85 133.04 53.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.805 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.558 ' O ' ' NH1' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -118.46 142.1 47.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.533 -179.695 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.485 ' C ' ' H ' ' A' ' 72' ' ' GLU . . . -93.22 -104.7 1.67 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.86 -0.896 . . . . 1.0 110.86 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -61.64 0.48 1.53 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.767 -0.933 . . . . 1.0 110.767 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.485 ' H ' ' C ' ' A' ' 70' ' ' GLY . 71.9 tt0 60.54 58.01 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.85 0.357 . . . . 1.0 110.621 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -83.03 -56.75 3.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.554 179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 27.2 mt -92.95 165.39 18.77 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.552 178.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -78.48 172.01 15.93 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.831 2.354 . . . . 1.0 112.131 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.488 ' OG ' ' NH2' ' A' ' 69' ' ' ARG . 22.9 t -89.47 129.3 35.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.7 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 34.4 mt -104.49 -11.19 17.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.444 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.2 tp -42.31 137.28 2.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.582 -178.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.41 0.01 73.94 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 80' ' ' LEU . 26.8 tp -93.84 127.83 39.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.725 0.298 . . . . 1.0 110.54 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.457 HG22 HG22 ' A' ' 63' ' ' THR . 5.7 p -98.27 131.04 44.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.636 178.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 23.2 m-85 -102.61 141.37 22.37 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.478 -179.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -78.07 144.68 21.4 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.848 2.365 . . . . 1.0 112.172 178.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.417 ' HB2' ' O ' ' A' ' 60' ' ' GLY . . . -55.49 -36.16 66.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.73 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.5 -24.48 5.52 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' A' ' 87' ' ' ILE . 50.3 p-10 -55.41 -27.2 46.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.775 0.321 . . . . 1.0 110.551 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.576 ' O ' ' O ' ' A' ' 88' ' ' PRO . 93.9 mt -124.55 98.38 37.73 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.537 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.576 ' O ' ' O ' ' A' ' 87' ' ' ILE . 86.7 Cg_exo -44.69 -116.57 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.836 2.358 . . . . 1.0 112.165 -179.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.441 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 84.2 tt0 -151.87 -59.46 0.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.523 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -48.6 -39.82 25.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.513 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.421 ' O ' ' CD1' ' A' ' 95' ' ' PHE . . . -65.84 -35.26 80.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.544 179.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 58.9 ttt180 -73.3 -24.74 60.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.485 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 94.2 mtt180 -58.57 -56.56 20.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.429 -178.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.698 ' O ' ' N ' ' A' ' 98' ' ' ALA . 43.8 mt -55.58 -40.33 71.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.537 -179.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.421 ' CD1' ' O ' ' A' ' 91' ' ' ALA . 4.6 m-85 -55.75 -50.15 71.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.781 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.563 ' C ' HD12 ' A' ' 97' ' ' LEU . 16.6 mmm180 -54.27 -21.85 10.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.745 176.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.563 HD12 ' C ' ' A' ' 96' ' ' ARG . 10.2 mp -107.87 -26.98 10.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.233 -178.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.698 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -91.46 -37.09 13.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.042 -0.527 . . . . 1.0 110.439 -176.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 98' ' ' ALA . 83.8 mt-30 36.63 61.43 0.84 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.41 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.416 HG13 ' O ' ' A' ' 98' ' ' ALA . 2.3 m -143.15 -42.86 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.84 177.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.635 ' NH1' HD11 ' A' ' 165' ' ' LEU . 32.5 mtt180 49.0 92.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.222 175.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 47.4 t -144.43 126.33 10.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.616 178.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.426 HD11 ' O1A' ' A' ' 301' ' ' CYC . 9.6 mt -108.37 128.98 63.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.721 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.68 HG22 ' N ' ' A' ' 105' ' ' ASP . 14.9 p -83.14 169.99 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.253 -179.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.68 ' N ' HG22 ' A' ' 104' ' ' VAL . 61.8 m-20 -51.52 121.18 5.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.452 -178.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 19.9 m -57.97 -10.15 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.562 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -75.85 -35.34 59.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.313 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.07 -14.56 17.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.377 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 50.66 61.96 2.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.731 179.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 9.9 p -85.63 136.44 33.38 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.432 174.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.3 ptt85 -118.91 129.4 55.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.832 -176.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.652 ' O ' HG23 ' A' ' 113' ' ' ILE . 64.1 p -116.51 159.28 22.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.217 177.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.652 HG23 ' O ' ' A' ' 112' ' ' SER . 12.3 pt -161.11 169.38 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.764 -178.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.7 t -74.15 173.52 10.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.67 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.467 ' N ' ' CD ' ' A' ' 115' ' ' GLN . 1.5 pm0 -160.03 150.81 15.62 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.478 -179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.556 ' O ' ' N ' ' A' ' 118' ' ' SER . 61.1 Cg_endo -73.62 140.43 29.61 Favored 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.79 2.327 . . . . 1.0 112.186 179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 52.14 -82.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.641 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.556 ' N ' ' O ' ' A' ' 116' ' ' PRO . 42.3 t 55.48 169.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.65 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 43.88 -141.93 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.607 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 98.73 -12.98 62.73 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.861 -0.896 . . . . 1.0 110.861 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 39.4 mt -60.74 -40.63 93.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 1.0 110.602 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -175.02 173.49 2.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.529 179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.459 ' O ' HD21 ' A' ' 97' ' ' LEU . . . -80.88 -64.83 1.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.53 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 73.4 ttt-85 -103.89 85.92 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.547 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 93.5 t -98.87 110.43 57.44 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.49 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 127' ' ' LEU . 78.7 Cg_exo -46.5 127.03 11.03 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.765 2.31 . . . . 1.0 112.122 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.646 HD12 ' N ' ' A' ' 127' ' ' LEU . 9.2 mp 38.51 -110.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.609 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 73.12 28.56 66.17 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -146.97 157.56 46.44 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.933 0.397 . . . . 1.0 110.549 -179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -46.31 166.9 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.855 2.37 . . . . 1.0 112.165 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.438 HD22 HE21 ' A' ' 178' ' ' GLN . 37.9 mt -71.16 -1.82 13.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.504 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -132.75 172.15 12.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.497 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.657 ' HE ' ' N ' ' A' ' 134' ' ' PRO . 0.0 OUTLIER -133.46 86.77 39.48 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.651 -178.857 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.657 ' N ' ' HE ' ' A' ' 133' ' ' ARG . 62.0 Cg_exo -48.95 142.11 20.44 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.777 2.318 . . . . 1.0 111.937 178.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.589 ' CG1' HBD1 ' A' ' 301' ' ' CYC . 3.4 t -131.96 139.03 51.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.543 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.542 ' N ' ' OG ' ' A' ' 112' ' ' SER . 1.0 OUTLIER -44.58 152.33 0.53 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.435 -179.156 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_exo -46.99 -9.43 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.818 2.346 . . . . 1.0 111.947 178.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.489 ' H ' ' C ' ' A' ' 136' ' ' ASP . 0.0 OUTLIER -58.68 -44.08 90.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.382 179.275 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.557 ' CD2' ' N ' ' A' ' 140' ' ' VAL . 0.1 OUTLIER -82.75 -24.6 33.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.257 -177.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.557 ' N ' ' CD2' ' A' ' 139' ' ' HIS . 10.1 t -50.52 -65.54 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.532 -179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 145' ' ' SER . 84.0 t60 -62.77 -42.08 99.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.492 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . 0.403 ' CE1' ' OC ' ' A' ' 301' ' ' CYC . 11.4 t80 -48.92 -56.68 8.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.442 178.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.4 mp -64.32 -51.65 62.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.381 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.18 -40.96 78.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.454 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 141' ' ' HIS . 46.4 t -53.41 -29.73 36.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.465 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 23.0 mtt -89.42 -0.16 57.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.432 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 72.96 24.32 76.2 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.528 ' CG1' ' O ' ' A' ' 150' ' ' SER . 91.0 t -105.06 114.0 43.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.757 0.313 . . . . 1.0 110.707 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -79.03 -38.98 35.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.263 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.528 ' O ' ' CG1' ' A' ' 148' ' ' VAL . 86.6 p -123.17 157.3 33.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.945 -0.57 . . . . 1.0 110.097 -178.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 32.3 t -152.14 126.02 9.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.953 0.406 . . . . 1.0 111.06 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 66.1 tp -110.45 113.74 26.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.003 178.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.527 ' CG2' ' N ' ' A' ' 154' ' ' VAL . 1.0 OUTLIER -111.89 157.88 12.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.115 0.483 . . . . 1.0 111.245 -179.27 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.527 ' N ' ' CG2' ' A' ' 153' ' ' VAL . 86.9 t -155.02 119.66 2.55 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.687 -0.688 . . . . 1.0 109.975 -177.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . 0.454 ' HB3' ' NE ' ' A' ' 101' ' ' ARG . 78.9 Cg_endo -78.94 148.68 22.22 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.901 2.4 . . . . 1.0 112.69 -176.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 33.4 mt -118.35 95.47 4.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.879 -0.6 . . . . 1.0 110.246 177.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 17.6 ptm -107.56 135.06 49.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.679 -176.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . 0.532 ' CE1' ' CB ' ' A' ' 196' ' ' ALA . 10.2 t60 -113.98 121.78 44.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.395 176.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.486 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 48.0 t-80 73.51 -110.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.38 -177.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 -122.41 -0.21 9.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.468 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -114.94 164.74 13.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.583 -177.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.606 HD12 ' N ' ' A' ' 162' ' ' LEU . 7.3 mp -104.81 123.17 47.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.438 178.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . 0.469 ' CE3' ' OE2' ' A' ' 199' ' ' GLU . 91.3 m95 -104.33 -41.7 5.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.887 -177.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -138.71 176.52 20.81 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.258 -0.737 . . . . 1.0 111.258 -177.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . 0.635 HD11 ' NH1' ' A' ' 101' ' ' ARG . 2.9 tp -148.8 130.03 14.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.76 0.314 . . . . 1.0 110.348 -179.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 32.8 tp -99.24 137.09 38.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.624 178.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.637 HG21 ' OB ' ' A' ' 301' ' ' CYC . 11.4 p -140.36 140.6 34.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.739 -178.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 4.1 m -125.84 143.33 51.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.384 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . 0.401 ' HB3' HG21 ' A' ' 148' ' ' VAL . 78.1 m-70 -136.09 136.63 40.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.716 -178.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . 0.643 ' CE1' ' HG1' ' A' ' 48' ' ' THR . 1.1 p-80 -174.22 168.87 3.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.492 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 170' ' ' HIS . . . -55.32 -163.45 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.633 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -116.11 84.96 14.46 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.661 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -80.69 -62.33 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.848 2.365 . . . . 1.0 112.026 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -158.69 151.86 18.67 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.574 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -48.75 172.6 0.05 OUTLIER 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.789 2.326 . . . . 1.0 112.07 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -108.5 116.34 31.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.643 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 18.3 t -67.45 140.05 57.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.552 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . 0.438 HE21 HD22 ' A' ' 131' ' ' LEU . 94.0 mt-30 -63.8 -40.86 97.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.507 -179.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.96 -62.89 1.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.427 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 39.5 mp0 -60.49 -31.24 70.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.395 -179.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 27.6 tp -58.04 -36.31 72.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.393 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -67.12 -50.16 62.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.412 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 56.3 t -42.57 -51.83 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.131 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 26.7 m -73.59 -36.59 47.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.993 -0.548 . . . . 1.0 110.174 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -48.26 -39.19 20.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.095 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 21.6 tp -71.78 -34.92 69.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.071 178.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 14.9 tp -55.85 -31.52 62.82 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.034 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -73.92 -38.12 64.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.036 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -57.88 -41.74 83.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.197 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -52.93 -53.82 43.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.081 179.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 93.7 t -55.75 -42.45 69.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.097 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 3.1 m -50.3 -34.07 22.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.134 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.7 -35.5 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.103 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -67.99 -46.24 71.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.275 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 15.5 tt -65.4 -30.51 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.233 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.532 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.5 -55.73 5.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.409 179.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -59.3 -25.22 63.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.337 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -73.66 -39.15 64.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.48 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . 0.469 ' OE2' ' CE3' ' A' ' 163' ' ' TRP . 84.9 mt-10 -51.36 -37.47 48.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.376 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . 0.611 ' N ' HD12 ' A' ' 200' ' ' LEU . 9.8 mp -57.15 -60.05 4.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.479 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 88.9 p -55.29 -43.26 74.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.534 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.522 ' N ' HD12 ' A' ' 202' ' ' LEU . 10.6 mp . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.958 -1.02 . . . . 1.0 110.591 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 301' ' ' CYC . . . . . 0.651 HBB1 ' HB2' ' A' ' 54' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.1 tt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.849 0.357 . . . . 1.0 110.597 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.456 ' OD1' HG11 ' A' ' 65' ' ' VAL . 69.1 m-20 -62.58 -36.34 82.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.575 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -74.13 -53.83 9.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.53 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.9 mm -51.59 -54.12 13.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.591 -178.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 39' ' ' VAL . 29.4 mt -57.19 -32.56 66.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.612 -177.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 60.5 ttt-85 -50.13 -40.3 45.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.559 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.88 -27.16 43.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.599 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.6 p -71.31 -44.71 64.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.707 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.57 HG21 ' HB3' ' A' ' 66' ' ' ALA . 42.0 t -58.33 -38.25 68.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.653 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -70.67 -41.71 71.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.542 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -65.36 -41.34 93.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.452 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.6 t -66.34 -55.72 17.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.509 -178.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.594 ' O ' ' N ' ' A' ' 47' ' ' GLY . 5.0 ttp180 -48.73 -43.03 37.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.553 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.28 -33.31 67.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.555 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -78.72 -46.53 18.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.542 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.512 ' CB ' HG23 ' A' ' 48' ' ' THR . 71.8 mt -80.4 -9.45 59.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.519 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.594 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 51.42 25.47 12.88 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.951 -0.86 . . . . 1.0 110.951 177.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.626 ' OG1' HG23 ' A' ' 51' ' ' VAL . 43.4 p -76.31 136.51 39.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 1.0 110.581 178.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -55.87 -31.37 62.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.62 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.5 ' NH1' ' O ' ' A' ' 74' ' ' LEU . 2.3 ttm105 -148.09 125.69 11.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.936 0.398 . . . . 1.0 111.073 -177.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.626 HG23 ' OG1' ' A' ' 48' ' ' THR . 2.1 t -144.25 135.79 21.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.89 -0.595 . . . . 1.0 109.792 175.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -144.97 161.18 40.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.015 0.436 . . . . 1.0 111.242 -177.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.8 p -103.61 139.15 25.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.662 -0.699 . . . . 1.0 109.851 177.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.755 ' HB2' HBB1 ' A' ' 301' ' ' CYC . 21.5 t80 -123.78 121.26 34.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.876 0.37 . . . . 1.0 111.191 -177.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.0 ttt-85 -95.32 163.19 13.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.972 -0.558 . . . . 1.0 109.944 179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.553 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 84.2 t80 -129.61 146.27 51.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.939 0.4 . . . . 1.0 110.873 -178.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.553 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 1.9 m-20 -116.42 162.57 25.85 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.299 179.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -72.67 -24.68 18.19 Favored 'Trans proline' 0 C--N 1.304 -1.775 0 C-N-CA 122.729 2.286 . . . . 1.0 112.065 -178.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.5 tp10 -77.58 -6.67 54.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.372 -178.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.25 20.25 30.73 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.862 -0.895 . . . . 1.0 110.862 179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.421 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 76.4 m80 -116.81 141.41 48.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.878 0.37 . . . . 1.0 110.707 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.411 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -135.64 157.43 23.26 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.624 -0.991 . . . . 1.0 110.624 179.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 67.8 p -140.26 159.35 42.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.832 0.349 . . . . 1.0 110.728 -178.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.6 t -99.68 117.34 44.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.169 176.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.456 HG11 ' OD1' ' A' ' 32' ' ' ASP . 30.4 m -103.21 2.0 10.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.828 -175.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.57 ' HB3' HG21 ' A' ' 39' ' ' VAL . . . -164.87 155.57 14.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.919 0.39 . . . . 1.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.445 ' OE2' ' NE ' ' A' ' 50' ' ' ARG . 66.4 tt0 -165.77 124.8 1.64 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.215 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -120.82 146.0 46.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.81 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.526 ' O ' ' NH1' ' A' ' 43' ' ' ARG . 35.6 ptt85 -144.28 145.51 32.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.481 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -96.57 3.49 63.32 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.521 ' O ' ' NH1' ' A' ' 69' ' ' ARG . . . -159.46 -124.9 0.77 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.749 -0.94 . . . . 1.0 110.749 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.3 pt-20 -173.8 49.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.8 0.333 . . . . 1.0 110.533 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.419 ' NH1' ' HB2' ' A' ' 171' ' ' ALA . 38.2 ttm180 -81.13 -57.33 3.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.502 178.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.5 ' O ' ' NH1' ' A' ' 50' ' ' ARG . 30.6 mt -93.93 148.1 34.66 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.546 177.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.407 ' O ' ' CZ ' ' A' ' 50' ' ' ARG . 27.7 Cg_endo -62.98 165.59 16.2 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.778 2.319 . . . . 1.0 112.154 -179.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 31.1 t -87.11 127.73 35.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.67 -179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 34.8 mt -102.55 -1.39 30.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.433 -179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 50.3 tp -54.32 136.35 43.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.528 -178.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.41 -0.19 77.43 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.846 -0.902 . . . . 1.0 110.846 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.815 HD23 ' N ' ' A' ' 81' ' ' THR . 4.1 tt -94.96 129.93 41.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.836 0.35 . . . . 1.0 110.55 -179.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.815 ' N ' HD23 ' A' ' 80' ' ' LEU . 9.8 t -95.44 127.48 41.51 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.676 178.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 28.4 m-85 -101.72 148.64 35.56 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.476 -179.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -81.83 146.06 14.57 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.865 2.376 . . . . 1.0 112.167 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.37 -35.58 76.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.583 178.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.68 -23.7 7.0 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.993 -0.843 . . . . 1.0 110.993 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.665 ' OD2' HMB3 ' A' ' 301' ' ' CYC . 51.3 t0 -56.52 -31.46 64.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.816 0.341 . . . . 1.0 110.577 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.475 ' O ' ' O ' ' A' ' 88' ' ' PRO . 7.1 mt -127.23 89.05 52.69 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.609 179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.475 ' O ' ' O ' ' A' ' 87' ' ' ILE . 63.1 Cg_exo -33.83 -101.1 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.867 2.378 . . . . 1.0 112.179 -178.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.427 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 82.1 tt0 -169.06 -32.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.566 179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -64.57 -38.84 92.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.555 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.554 ' HB1' ' O1A' ' A' ' 301' ' ' CYC . . . -65.0 -33.19 75.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.524 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -70.19 -23.13 62.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.453 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.576 ' O ' ' N ' ' A' ' 97' ' ' LEU . 94.0 mtt180 -56.43 -57.83 10.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.444 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.536 ' O ' ' N ' ' A' ' 98' ' ' ALA . 21.4 mt -54.92 -37.45 66.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.504 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.637 ' CZ ' HBA1 ' A' ' 301' ' ' CYC . 8.0 m-85 -65.14 -42.09 94.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.756 178.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 45.8 mtm-85 -86.6 -17.09 34.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.71 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.576 ' N ' ' O ' ' A' ' 93' ' ' ARG . 22.8 tp -102.1 -51.63 3.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.277 -176.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -102.61 -10.79 18.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.442 -176.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.487 ' C ' ' O ' ' A' ' 98' ' ' ALA . 89.7 mt-30 34.99 63.24 0.49 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.338 178.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.632 ' C ' ' HE ' ' A' ' 101' ' ' ARG . 15.4 t -107.21 -50.8 7.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.781 176.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.632 ' HE ' ' C ' ' A' ' 100' ' ' VAL . 0.2 OUTLIER 56.45 64.23 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.284 173.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.65 ' C ' HD12 ' A' ' 103' ' ' ILE . 12.3 p -146.04 124.26 4.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.62 179.659 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.65 HD12 ' C ' ' A' ' 102' ' ' VAL . 1.7 mp -111.19 132.91 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.778 178.01 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -83.64 171.42 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.335 -178.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -50.69 120.33 4.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.458 -178.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 15.6 m -57.07 -8.28 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.547 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -78.22 -31.52 49.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.342 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.57 -12.61 6.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.362 179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 48.53 60.24 3.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.678 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.14 140.67 29.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.37 175.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 83.0 mtm-85 -122.57 128.99 51.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.855 -177.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 6.2 t -138.69 116.66 11.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.234 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.424 HG22 ' H ' ' A' ' 114' ' ' SER . 0.2 OUTLIER -119.45 -166.83 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.769 -179.775 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.424 ' H ' HG22 ' A' ' 113' ' ' ILE . 79.1 p -76.07 172.87 12.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.679 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -173.9 130.65 0.52 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.491 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -38.65 109.24 0.08 OUTLIER 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.859 2.372 . . . . 1.0 112.137 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.528 ' OE1' ' NE1' ' A' ' 119' ' ' TRP . 3.1 pp20? -166.24 174.75 8.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.587 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.455 ' N ' ' OE1' ' A' ' 117' ' ' GLU . 77.3 p -148.25 166.55 27.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.644 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.528 ' NE1' ' OE1' ' A' ' 117' ' ' GLU . 90.4 m95 -141.76 -166.66 2.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.59 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 95.0 15.72 44.1 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 31.3 mt -83.43 139.57 32.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.77 0.319 . . . . 1.0 110.546 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 71.0 m -79.79 -7.64 58.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.536 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.57 -40.64 95.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.54 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 7.8 tpp85 60.6 88.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.58 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.43 HG22 ' H ' ' A' ' 125' ' ' VAL . 2.0 m -82.07 117.37 68.11 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.574 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -77.63 134.72 13.92 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.829 2.352 . . . . 1.0 112.062 -179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.654 HD12 ' N ' ' A' ' 127' ' ' LEU . 8.5 mp 40.73 -114.05 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.592 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 68.98 25.74 75.18 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 -179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -135.72 160.06 69.0 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.979 0.418 . . . . 1.0 110.551 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.528 ' O ' ' NH2' ' A' ' 133' ' ' ARG . 89.1 Cg_exo -45.26 166.16 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.863 2.375 . . . . 1.0 112.231 178.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 35.4 mt -79.86 4.61 16.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.44 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -139.04 162.59 34.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.503 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.607 ' CA ' ' HE ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -114.81 105.26 53.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.665 -179.287 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -80.05 140.96 14.51 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.725 2.284 . . . . 1.0 112.02 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.867 HG21 ' ND1' ' A' ' 139' ' ' HIS . 18.1 m -132.27 142.13 43.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.509 -178.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -40.15 155.77 0.18 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.451 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.728 ' O ' HG22 ' A' ' 140' ' ' VAL . 15.9 Cg_endo -58.73 -49.18 12.3 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.774 2.316 . . . . 1.0 111.888 -178.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.539 ' SG ' ' HHD' ' A' ' 301' ' ' CYC . 0.5 OUTLIER -47.21 -18.89 0.11 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.388 -179.375 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.867 ' ND1' HG21 ' A' ' 135' ' ' VAL . 42.9 t-80 -90.87 -49.48 6.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.265 177.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 137' ' ' PRO . 2.4 m -54.16 -42.76 57.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.969 -0.559 . . . . 1.0 110.54 -178.318 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.513 ' N ' ' CG2' ' A' ' 140' ' ' VAL . 86.2 t60 -67.51 -42.78 82.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.492 177.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . 0.428 ' CE2' ' CE ' ' A' ' 146' ' ' MET . 39.5 t80 -46.98 -43.4 19.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.414 178.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.411 ' N ' HD12 ' A' ' 143' ' ' LEU . 11.0 mp -69.25 -48.18 62.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.419 177.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -57.54 -39.67 77.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.46 178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 29.0 m -52.59 -28.28 20.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.506 178.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.428 ' CE ' ' CE2' ' A' ' 142' ' ' TYR . 28.0 mtt -93.07 1.31 57.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.465 177.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 70.87 22.06 78.23 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.931 -0.867 . . . . 1.0 110.931 -179.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.623 HG21 ' HB3' ' A' ' 169' ' ' HIS . 81.2 t -107.24 113.71 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.72 0.295 . . . . 1.0 110.753 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -91.17 -22.14 20.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.197 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.438 ' O ' ' CG1' ' A' ' 148' ' ' VAL . 24.9 t -110.69 136.18 50.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.192 -179.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 2.2 t -142.62 120.88 12.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.914 0.388 . . . . 1.0 111.11 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 19.6 tp -118.88 135.95 54.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.998 -0.546 . . . . 1.0 109.994 178.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.435 ' C ' HG23 ' A' ' 154' ' ' VAL . 0.0 OUTLIER -127.12 154.18 37.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.123 0.487 . . . . 1.0 111.195 -178.863 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.435 HG23 ' C ' ' A' ' 153' ' ' VAL . 93.9 t -156.28 79.34 4.01 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.687 -0.688 . . . . 1.0 109.973 -179.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . 0.43 ' HA ' HD12 ' A' ' 165' ' ' LEU . 52.7 Cg_exo -51.31 154.26 8.51 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.993 2.462 . . . . 1.0 112.676 -176.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 31.5 mt -117.52 96.72 5.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.859 -0.61 . . . . 1.0 110.195 178.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 20.8 ptm -108.12 136.69 47.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.367 -0.379 . . . . 1.0 110.741 -177.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . 0.509 ' CE1' ' CB ' ' A' ' 196' ' ' ALA . 38.1 t60 -111.25 124.0 51.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.43 176.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.448 ' CE1' ' NE2' ' A' ' 158' ' ' HIS . 5.8 m-70 63.77 -103.31 0.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.447 -177.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.86 -0.11 8.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.411 -178.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -111.4 160.09 17.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.516 -176.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 6.0 tt -107.29 122.33 46.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.401 177.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . 0.4 ' NE1' ' HB3' ' A' ' 158' ' ' HIS . 93.8 m95 -103.36 -39.37 6.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.921 -176.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -140.73 176.66 21.36 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.226 -0.749 . . . . 1.0 111.226 -177.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 155' ' ' PRO . 26.7 tp -146.4 129.1 16.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.768 0.318 . . . . 1.0 110.405 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 5.8 tp -99.71 142.56 31.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.615 179.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.549 HG11 ' OB ' ' A' ' 301' ' ' CYC . 9.0 p -151.29 142.28 16.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.693 -178.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.504 ' O ' ' ND1' ' A' ' 169' ' ' HIS . 13.2 p -126.99 146.16 50.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.417 178.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . 0.623 ' HB3' HG21 ' A' ' 148' ' ' VAL . 9.7 m80 -142.5 134.55 27.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.78 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -172.59 169.87 4.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.518 -178.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.419 ' HB2' ' NH1' ' A' ' 73' ' ' ARG . . . -54.58 -171.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.622 179.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -115.84 86.34 16.03 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.6 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -81.44 -59.95 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.881 2.388 . . . . 1.0 112.061 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -153.73 152.07 26.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.532 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -50.02 168.96 0.15 Allowed 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.711 2.274 . . . . 1.0 112.062 179.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -113.43 142.12 46.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.581 179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 31.8 t -90.37 131.82 35.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.56 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -67.14 -39.59 86.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.505 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -60.6 -59.29 5.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.431 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -59.45 -34.08 72.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.471 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 27.5 tp -60.74 -38.39 85.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.451 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.526 ' NE2' ' OE1' ' A' ' 185' ' ' GLN . 60.2 tp60 -56.84 -53.98 51.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.284 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 97.6 t -43.42 -42.03 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.148 178.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 187' ' ' LEU . 90.2 t -72.65 -38.93 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.164 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.526 ' OE1' ' NE2' ' A' ' 182' ' ' GLN . 56.0 tt0 -46.27 -36.99 6.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.082 178.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . 0.516 HD12 ' N ' ' A' ' 186' ' ' LEU . 9.9 mp -69.31 -36.35 76.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.006 177.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . 0.679 HD23 ' O ' ' A' ' 187' ' ' LEU . 1.1 tt -55.24 -31.2 61.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.079 178.272 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -73.82 -38.91 64.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.079 178.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -57.02 -41.39 78.48 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.243 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . 0.592 ' O ' HG22 ' A' ' 193' ' ' ILE . 97.6 mm-40 -53.26 -55.82 21.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.152 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 194' ' ' ALA . 82.4 t -53.76 -40.36 43.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.131 178.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 3.5 p -47.1 -29.59 2.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.078 179.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . 0.592 HG22 ' O ' ' A' ' 190' ' ' GLN . 3.3 tt -80.07 -33.24 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.082 179.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 191' ' ' VAL . . . -72.28 -47.48 49.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.248 -179.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . 0.435 HG23 ' N ' ' A' ' 196' ' ' ALA . 21.0 tt -63.18 -37.9 80.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.066 -0.515 . . . . 1.0 110.257 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.509 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.32 -53.85 8.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.413 179.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 9.2 tp-100 -59.67 -26.85 65.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.379 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 194' ' ' ALA . . . -73.95 -38.4 64.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.432 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -52.98 -36.62 60.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.358 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 38.9 mt -62.02 -57.21 12.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.449 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 19.6 m -55.39 -43.49 75.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.46 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.59 ' N ' HD12 ' A' ' 202' ' ' LEU . 10.3 mp . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.962 -1.018 . . . . 1.0 110.539 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 301' ' ' CYC . . . . . 0.755 HBB1 ' HB2' ' A' ' 54' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 14.0 tp . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.769 0.319 . . . . 1.0 110.575 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 33' ' ' GLN . 31.3 p-10 -66.42 -33.31 75.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.574 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.407 ' N ' ' OD1' ' A' ' 32' ' ' ASP . 96.2 mt-30 -76.94 -54.61 6.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.586 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.722 HD13 ' O ' ' A' ' 34' ' ' ILE . 0.3 OUTLIER -56.9 -35.07 45.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.544 -178.484 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' A' ' 35' ' ' LEU . 79.3 mt -74.64 -27.81 60.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.655 -179.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -56.96 -35.02 68.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.602 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.47 -26.38 32.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.644 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 34' ' ' ILE . 68.5 p -73.49 -47.31 42.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.633 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 40' ' ' GLU . 7.6 p -58.7 -35.92 57.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.682 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.409 ' N ' HG13 ' A' ' 39' ' ' VAL . 94.6 mt-10 -74.87 -45.13 45.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.576 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -60.62 -39.97 90.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.489 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.0 t -65.58 -55.77 18.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.526 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.574 ' O ' ' N ' ' A' ' 47' ' ' GLY . 9.3 tmm_? -51.67 -41.52 61.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.499 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.2 80.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.552 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -80.02 -48.15 13.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.551 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.0 mt -79.62 -8.15 59.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.567 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 39.5 66.96 0.66 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.994 -0.842 . . . . 1.0 110.994 179.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.5 ' HB ' ' ND1' ' A' ' 170' ' ' HIS . 0.1 OUTLIER -119.37 139.96 51.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.879 0.371 . . . . 1.0 110.61 179.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.595 ' CG ' ' HE ' ' A' ' 73' ' ' ARG . 74.5 m-20 -47.74 -37.41 13.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.614 -176.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -149.16 130.02 14.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.967 0.413 . . . . 1.0 111.011 -177.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.475 HG23 ' OG1' ' A' ' 48' ' ' THR . 45.3 t -140.56 131.25 28.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.846 -0.615 . . . . 1.0 109.817 175.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -145.55 151.84 38.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.099 0.476 . . . . 1.0 111.234 -177.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 90.1 t -98.1 138.39 22.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.699 -0.682 . . . . 1.0 109.856 177.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -122.47 120.13 32.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.926 0.393 . . . . 1.0 111.146 -178.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 71.1 mtm180 -95.97 166.3 11.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.0 -0.546 . . . . 1.0 109.932 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.523 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 82.3 t80 -130.48 146.67 52.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.959 0.409 . . . . 1.0 110.89 -178.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.523 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 22.7 m-20 -116.95 148.5 42.32 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.291 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -58.76 -25.12 74.68 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.682 2.255 . . . . 1.0 112.038 -179.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -77.34 -4.94 47.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.413 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.32 21.45 32.28 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.416 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 79.0 m80 -117.84 141.99 47.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 1.0 110.777 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -133.54 154.94 21.49 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.622 -0.991 . . . . 1.0 110.622 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.0 p -135.12 156.29 49.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.781 0.324 . . . . 1.0 110.746 -178.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.4 t -96.73 113.49 31.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.184 176.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 1.4 p -103.57 1.58 10.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.804 -175.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -162.31 149.56 13.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.889 0.375 . . . . 1.0 110.909 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.473 ' CD ' ' O ' ' A' ' 67' ' ' GLU . 2.0 pp20? -164.94 125.89 2.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.277 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -124.25 149.39 46.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.764 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.527 ' NH1' ' O ' ' A' ' 71' ' ' GLY . 36.4 ptt85 -146.28 148.13 32.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.02 -0.537 . . . . 1.0 110.509 179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -97.92 -19.15 25.11 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.527 ' O ' ' NH1' ' A' ' 69' ' ' ARG . . . -130.28 -127.69 2.93 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.743 -0.943 . . . . 1.0 110.743 178.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 74.4 tt0 -174.04 62.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.776 0.322 . . . . 1.0 110.618 178.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.595 ' HE ' ' CG ' ' A' ' 49' ' ' ASP . 8.6 ptp180 -91.91 -16.51 26.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.559 177.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.2 mt -134.36 164.15 46.1 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.477 179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -81.63 174.84 10.04 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.705 2.27 . . . . 1.0 112.111 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.9 p -88.64 130.85 35.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.665 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 32.0 mt -102.38 -11.29 18.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.476 -178.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 11.2 tp -42.87 134.07 3.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.545 -178.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 90.26 -1.44 79.75 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.419 HD23 ' CZ ' ' A' ' 82' ' ' PHE . 34.9 tp -94.55 127.92 40.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.789 0.328 . . . . 1.0 110.554 -179.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.451 ' O ' HG23 ' A' ' 81' ' ' THR . 10.1 t -96.98 128.46 43.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.636 178.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.419 ' CZ ' HD23 ' A' ' 80' ' ' LEU . 22.6 m-85 -99.4 140.75 21.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.533 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -75.53 139.57 23.09 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.818 2.345 . . . . 1.0 112.188 178.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.38 -33.23 65.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.605 -179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.69 -24.91 6.27 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.026 -0.83 . . . . 1.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -55.46 -31.42 61.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 1.0 110.607 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 8.3 mt -133.98 90.0 27.82 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.499 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.477 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 79.7 Cg_exo -37.72 -94.59 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.885 2.39 . . . . 1.0 112.079 -178.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.477 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 83.1 tt0 -170.08 -49.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.579 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -48.09 -38.6 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.588 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.455 ' O ' ' CD2' ' A' ' 95' ' ' PHE . . . -66.7 -41.25 88.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.57 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -60.14 -22.58 63.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.555 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 58.9 mtp85 -68.04 -52.58 33.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.502 -178.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.634 HD12 ' N ' ' A' ' 94' ' ' LEU . 9.1 mp -44.6 -55.41 5.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.422 -178.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.566 ' O ' ' N ' ' A' ' 99' ' ' GLN . 9.2 m-85 -66.85 -30.16 70.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.765 -178.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.501 ' C ' HD12 ' A' ' 97' ' ' LEU . 28.3 ttp180 -63.94 -25.48 68.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.697 175.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.501 HD12 ' C ' ' A' ' 96' ' ' ARG . 11.0 mp -107.43 -31.18 8.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.213 178.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.684 ' CB ' HH12 ' A' ' 133' ' ' ARG . . . -94.59 -30.28 14.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.376 -177.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.566 ' N ' ' O ' ' A' ' 95' ' ' PHE . 91.4 mt-30 38.32 66.09 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.341 179.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.6 m -136.4 -42.79 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.77 177.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.786 ' HB3' HG13 ' A' ' 153' ' ' VAL . 24.4 mmt180 53.09 82.1 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.383 -0.372 . . . . 1.0 110.231 176.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.651 ' C ' HD12 ' A' ' 103' ' ' ILE . 34.2 m -146.94 122.7 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.605 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.698 HD12 ' N ' ' A' ' 103' ' ' ILE . 1.9 mp -109.33 136.42 45.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.701 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 31.8 m -81.81 171.71 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.297 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.401 ' OD1' ' OE2' ' A' ' 172' ' ' GLU . 0.3 OUTLIER -47.04 118.35 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.478 -178.485 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.9 m -58.29 -11.23 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.495 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.426 ' H ' ' HG2' ' A' ' 107' ' ' GLU . 15.4 pt-20 -79.98 -28.15 39.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.362 179.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.05 -12.7 8.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.378 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 90.4 mm-40 50.62 61.69 3.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.037 -0.528 . . . . 1.0 110.667 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.8 p -86.1 139.47 31.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.367 175.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -122.26 129.32 52.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.822 -177.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.504 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 6.4 t -141.62 117.16 10.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.268 177.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.666 ' H ' HD12 ' A' ' 113' ' ' ILE . 0.2 OUTLIER -122.65 -163.46 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.732 -179.369 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.612 ' H ' HG22 ' A' ' 113' ' ' ILE . 60.5 p -77.21 169.63 17.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.654 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -173.76 68.16 0.33 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.528 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_exo -48.43 108.94 0.21 Allowed 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.801 2.334 . . . . 1.0 112.205 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -172.53 -127.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.636 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.574 ' O ' HD21 ' A' ' 121' ' ' LEU . 48.9 p -82.98 -0.51 49.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.614 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -75.08 142.86 43.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.558 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 79.71 53.42 4.31 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.574 HD21 ' O ' ' A' ' 118' ' ' SER . 63.5 mt -81.34 140.31 34.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.852 0.358 . . . . 1.0 110.56 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 53.0 p -78.74 -3.1 42.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.538 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.15 -24.42 66.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.567 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 64.15 51.46 2.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.592 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 27.5 m -72.57 141.86 83.18 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.539 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.07 127.29 12.65 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.811 2.341 . . . . 1.0 112.02 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 7.5 tp 39.63 -118.49 0.28 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.639 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 75.98 26.97 63.28 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -135.53 170.75 10.29 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 120.914 0.388 . . . . 1.0 110.578 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_exo -49.63 155.07 4.0 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.873 2.382 . . . . 1.0 112.103 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.665 ' N ' HD12 ' A' ' 131' ' ' LEU . 8.7 mp -71.45 -3.78 22.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.496 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -133.4 158.29 43.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.423 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.684 HH12 ' CB ' ' A' ' 98' ' ' ALA . 0.0 OUTLIER -115.66 108.56 46.83 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.725 -179.581 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_endo -80.25 144.39 16.38 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.718 2.279 . . . . 1.0 111.977 178.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.522 HG21 ' ND1' ' A' ' 139' ' ' HIS . 34.6 m -126.44 136.19 61.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.577 -179.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.678 ' OD2' HMD1 ' A' ' 301' ' ' CYC . 0.1 OUTLIER -44.23 157.5 0.29 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.502 179.244 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.66 -30.13 82.5 Favored 'Trans proline' 0 C--N 1.304 -1.787 0 C-N-CA 122.819 2.346 . . . . 1.0 111.924 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.707 ' CA ' HBC1 ' A' ' 301' ' ' CYC . 0.0 OUTLIER -53.22 -39.26 63.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.353 179.452 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.522 ' ND1' HG21 ' A' ' 135' ' ' VAL . 48.0 t-80 -81.79 -36.92 27.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.275 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 65.2 t -49.98 -55.06 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.022 -0.535 . . . . 1.0 110.494 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -64.83 -39.15 93.11 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.436 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -45.47 -49.77 13.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.499 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.486 HD11 ' CE1' ' A' ' 139' ' ' HIS . 76.9 mt -67.16 -51.03 58.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.4 178.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -53.71 -39.82 65.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.414 -178.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.9 t -55.08 -28.1 49.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.59 179.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 23.3 mtt -89.34 0.29 56.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.464 177.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 69.96 25.39 75.65 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 178.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.641 HG13 ' O ' ' A' ' 148' ' ' VAL . 6.2 p -110.03 119.69 59.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.766 0.317 . . . . 1.0 110.668 179.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -82.57 -33.57 28.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.241 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.603 ' O ' HG22 ' A' ' 148' ' ' VAL . 73.8 m -110.16 146.65 35.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.89 -0.595 . . . . 1.0 110.152 -178.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -139.09 106.0 5.42 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.806 -0.357 . . . . 1.0 111.103 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 22.7 tp -101.94 117.01 33.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.05 -0.523 . . . . 1.0 109.972 178.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.786 HG13 ' HB3' ' A' ' 101' ' ' ARG . 2.4 p -128.57 158.38 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.282 -178.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.496 ' N ' ' CG2' ' A' ' 153' ' ' VAL . 10.6 t -150.34 137.09 11.19 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 115.649 -0.705 . . . . 1.0 109.926 -178.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -94.1 148.77 2.05 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.941 2.427 . . . . 1.0 112.693 -175.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 32.8 mt -117.67 98.05 6.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.196 178.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 41.5 mtp -108.24 124.45 50.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.768 -178.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . 0.635 ' ND1' ' NE2' ' A' ' 159' ' ' HIS . 4.4 t-80 -109.58 124.34 50.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.425 176.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.635 ' NE2' ' ND1' ' A' ' 158' ' ' HIS . 70.8 m-70 68.47 -112.09 0.12 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.452 -177.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -121.06 0.93 10.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.455 -179.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 53.3 mm-40 -117.55 166.78 11.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.54 -177.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 5.9 tt -104.42 121.18 42.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.467 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . 0.425 ' CD1' ' HB3' ' A' ' 158' ' ' HIS . 59.7 m95 -103.1 -43.47 5.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.849 -176.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -136.95 176.64 20.32 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.28 -0.728 . . . . 1.0 111.28 -177.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.3 tp -150.0 125.37 10.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.744 0.307 . . . . 1.0 110.477 -179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.433 ' O ' ' O ' ' A' ' 154' ' ' VAL . 60.4 tp -99.14 135.9 39.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.561 178.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 14.8 p -142.59 146.46 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.672 -178.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 46.7 t -135.43 146.1 47.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.364 178.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -139.18 140.43 37.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.794 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . 0.5 ' ND1' ' HB ' ' A' ' 48' ' ' THR . 1.3 p-80 -172.43 168.97 5.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.496 -178.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -53.8 -172.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.621 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . 0.401 ' OE2' ' OD1' ' A' ' 105' ' ' ASP . 45.7 tt0 -120.33 80.47 29.08 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.6 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -84.47 -42.36 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.857 2.371 . . . . 1.0 112.171 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -154.5 154.11 28.93 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.492 . . . . 1.0 110.575 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -68.28 178.46 3.65 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.826 2.351 . . . . 1.0 112.04 179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 8.3 p90 -113.89 132.26 55.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.575 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 25.7 t -82.66 143.41 30.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.527 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -66.47 -42.11 88.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.465 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -60.79 -54.44 45.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.496 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -65.6 -29.08 69.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.421 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 31.5 tp -60.4 -31.25 70.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.386 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -71.01 -52.45 19.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.342 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 61.8 t -42.95 -48.68 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.152 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 187' ' ' LEU . 31.3 m -73.85 -37.24 47.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.217 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -47.05 -37.29 9.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.081 177.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 59.3 mt -73.08 -33.11 65.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.062 178.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 184' ' ' VAL . 9.7 tp -56.47 -32.69 65.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.019 178.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -74.26 -38.65 63.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.076 178.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -56.36 -41.25 75.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.149 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -54.32 -54.14 44.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.174 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 94.9 t -54.93 -44.31 72.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.116 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 6.4 t -48.56 -34.19 11.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.137 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 70.0 mt -79.48 -32.7 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.171 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -68.03 -44.54 76.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.266 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 12.5 tt -65.19 -32.49 58.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.231 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.509 ' HB2' ' CD2' ' A' ' 158' ' ' HIS . . . -76.3 -57.54 3.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.402 178.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -55.33 -26.62 41.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.385 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -75.3 -36.18 61.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.432 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -49.57 -36.63 24.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.443 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 42.6 mt -53.0 -60.82 2.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.493 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 27.8 m -49.02 -39.62 27.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.445 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.584 ' N ' HD12 ' A' ' 202' ' ' LEU . 10.2 mp . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.952 -1.023 . . . . 1.0 110.557 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 301' ' ' CYC . . . . . 0.707 HBC1 ' CA ' ' A' ' 138' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 22.1 tp . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.848 0.356 . . . . 1.0 110.537 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -68.83 -31.54 70.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.598 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -78.04 -52.24 9.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.586 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.2 tp -62.66 -29.3 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.534 -178.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.457 ' O ' HG22 ' A' ' 38' ' ' THR . 82.6 mt -79.48 -22.73 43.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.619 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -76.21 -39.72 53.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.529 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -78.86 -34.3 45.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.608 -177.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.532 ' CG2' ' N ' ' A' ' 39' ' ' VAL . 4.3 t -65.92 -43.91 86.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.636 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.532 ' N ' ' CG2' ' A' ' 38' ' ' THR . 10.7 t -57.08 -36.83 52.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.68 178.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.06 -35.67 79.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.581 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -65.92 -41.84 90.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.513 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.1 t -61.55 -41.5 90.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.543 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.574 ' O ' ' N ' ' A' ' 47' ' ' GLY . 1.2 tmm_? -58.86 -51.96 67.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.537 179.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.452 ' N ' ' HE ' ' A' ' 43' ' ' ARG . . . -59.47 -41.12 89.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.505 -179.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -75.22 -53.9 8.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.569 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.54 ' O ' ' N ' ' A' ' 48' ' ' THR . 1.3 tp -77.67 -3.21 39.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.54 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 42.47 19.13 0.05 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 178.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.54 ' N ' ' O ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -73.13 139.04 46.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.825 0.345 . . . . 1.0 110.634 179.816 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.49 ' OD2' ' CZ ' ' A' ' 73' ' ' ARG . 72.2 m-20 -53.8 -37.13 63.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.63 -177.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.496 ' NH2' ' SD ' ' A' ' 146' ' ' MET . 60.2 ttp180 -146.38 128.58 15.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.957 0.408 . . . . 1.0 111.045 -176.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.427 HG13 HG21 ' A' ' 48' ' ' THR . 0.0 OUTLIER -141.15 134.64 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.822 -0.626 . . . . 1.0 109.853 175.415 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -145.32 153.51 41.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.032 0.444 . . . . 1.0 111.241 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.491 HG23 ' CG2' ' A' ' 39' ' ' VAL . 30.8 t -96.29 136.31 27.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.697 -0.683 . . . . 1.0 109.841 177.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.712 ' HB2' HBB1 ' A' ' 301' ' ' CYC . 25.7 t80 -117.81 117.0 28.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.845 0.355 . . . . 1.0 111.2 -178.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.434 ' NE ' HG11 ' A' ' 65' ' ' VAL . 56.8 mtm180 -95.43 163.06 13.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.994 -0.548 . . . . 1.0 109.892 179.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.53 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 85.1 t80 -129.83 146.12 51.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.892 0.377 . . . . 1.0 110.914 -178.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.53 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 1.1 m-20 -113.7 148.07 39.0 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 115.964 -0.562 . . . . 1.0 110.293 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -60.84 -24.43 79.09 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.71 2.273 . . . . 1.0 112.063 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -77.53 -9.77 59.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.43 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 98.96 23.07 11.97 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.821 -0.912 . . . . 1.0 110.821 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -115.29 136.11 53.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.864 0.364 . . . . 1.0 110.68 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -123.81 143.53 14.97 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.645 -0.982 . . . . 1.0 110.645 179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.428 HG22 HG22 ' A' ' 81' ' ' THR . 81.7 p -133.33 153.3 51.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.81 0.338 . . . . 1.0 110.752 -178.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.707 ' CG1' ' H ' ' A' ' 79' ' ' GLY . 7.5 p -103.19 118.4 50.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.158 176.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.434 HG11 ' NE ' ' A' ' 55' ' ' ARG . 17.5 m -107.12 3.33 10.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.825 -175.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -157.31 145.25 19.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.92 0.39 . . . . 1.0 110.858 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.529 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 89.3 tt0 -167.41 126.42 1.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.215 179.058 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -128.19 145.94 50.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.769 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.453 ' C ' HH11 ' A' ' 43' ' ' ARG . 80.3 mtm180 -134.78 145.08 48.06 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.451 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -95.64 -53.89 1.5 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -91.67 -131.21 5.18 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.695 -0.962 . . . . 1.0 110.695 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.0 tp10 -173.25 56.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.864 0.364 . . . . 1.0 110.588 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.49 ' CZ ' ' OD2' ' A' ' 49' ' ' ASP . 16.8 ptp180 -90.92 -48.15 7.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.462 177.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.449 ' O ' ' NH1' ' A' ' 69' ' ' ARG . 10.0 mt -103.12 148.87 36.29 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.511 178.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -66.88 175.17 5.74 Favored 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.739 2.292 . . . . 1.0 112.127 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 32.9 t -90.63 136.51 33.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.697 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.482 ' O ' ' C ' ' A' ' 78' ' ' LEU . 30.1 mt -109.2 -15.49 14.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.476 -179.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.529 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 8.4 tp -33.59 136.1 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.521 -178.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.707 ' H ' ' CG1' ' A' ' 64' ' ' VAL . . . 92.12 0.37 71.13 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 -179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.432 HD23 ' CZ ' ' A' ' 82' ' ' PHE . 30.8 tp -86.41 125.07 33.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.769 0.318 . . . . 1.0 110.54 -179.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.428 HG22 HG22 ' A' ' 63' ' ' THR . 14.3 p -101.5 129.19 47.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.648 177.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 4.0 m-85 -103.42 147.58 34.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.509 -179.121 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -79.97 145.65 17.77 Favored 'Trans proline' 0 C--N 1.306 -1.666 0 C-N-CA 122.854 2.369 . . . . 1.0 112.167 177.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.31 -38.4 71.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.691 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.85 -23.6 7.21 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.006 -0.837 . . . . 1.0 111.006 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.405 ' OD2' HMB3 ' A' ' 301' ' ' CYC . 46.5 t0 -55.25 -26.54 40.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.745 0.307 . . . . 1.0 110.525 -179.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.718 HD11 HMB2 ' A' ' 301' ' ' CYC . 93.9 mt -134.54 93.18 18.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.53 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.465 ' O ' ' O ' ' A' ' 87' ' ' ILE . 85.6 Cg_exo -40.39 -103.54 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.775 2.316 . . . . 1.0 112.203 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.462 ' HG2' ' H ' ' A' ' 90' ' ' GLU . 1.1 pm0 -162.24 -53.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.51 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.462 ' H ' ' HG2' ' A' ' 89' ' ' GLU . 20.0 pt-20 -46.2 -39.83 10.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.553 -177.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.768 ' HB1' HBA1 ' A' ' 301' ' ' CYC . . . -69.34 -43.69 73.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.569 179.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -67.42 -27.5 67.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.542 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 59.5 mtp85 -59.67 -52.89 63.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.523 -178.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.488 ' HG ' ' HB3' ' A' ' 98' ' ' ALA . 18.0 tp -52.31 -44.56 65.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.469 -178.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.437 ' O ' ' CG ' ' A' ' 99' ' ' GLN . 7.4 m-85 -55.1 -31.12 60.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.782 179.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 70.3 mtm180 -84.91 -18.48 34.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.696 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.9 mp -103.15 -50.97 3.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.235 -177.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.488 ' HB3' ' HG ' ' A' ' 94' ' ' LEU . . . -99.52 -15.55 18.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.49 -174.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.482 ' C ' ' O ' ' A' ' 98' ' ' ALA . 90.4 mt-30 34.66 61.63 0.56 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.34 179.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.596 ' O ' ' CG ' ' A' ' 101' ' ' ARG . 35.2 m -93.39 -44.52 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.77 177.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.596 ' CG ' ' O ' ' A' ' 100' ' ' VAL . 46.8 ptt85 47.1 49.55 14.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.338 173.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.614 ' C ' HD12 ' A' ' 103' ' ' ILE . 11.8 p -144.62 125.63 8.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.617 179.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.614 HD12 ' C ' ' A' ' 102' ' ' VAL . 1.6 mp -112.66 134.81 54.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.7 179.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.532 HG21 HE21 ' A' ' 132' ' ' GLN . 0.2 OUTLIER -84.47 171.67 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.289 -179.269 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -51.18 121.9 6.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.45 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 15.5 m -58.98 -9.72 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.547 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -75.71 -34.63 60.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.304 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.33 -10.62 2.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.356 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 47.02 62.42 2.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.729 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.74 136.63 33.63 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.393 175.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 74.6 mtp85 -120.55 132.18 55.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.835 -176.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.443 ' O ' ' CG ' ' A' ' 136' ' ' ASP . 0.1 OUTLIER -143.99 116.17 8.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.242 177.626 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 21.8 pt -118.94 -167.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.794 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 79.1 p -79.56 169.74 17.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.65 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.474 ' OE1' ' CZ3' ' A' ' 119' ' ' TRP . 1.4 pt20 -168.14 151.01 5.43 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.432 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.07 -26.53 30.71 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.914 2.409 . . . . 1.0 112.152 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -106.21 156.49 18.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.62 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 87.1 p -141.27 158.53 43.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.589 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.474 ' CZ3' ' OE1' ' A' ' 115' ' ' GLN . 38.6 p90 -142.51 161.69 37.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.587 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 83.44 12.41 78.42 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.951 -0.86 . . . . 1.0 110.951 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 18.9 tp -90.74 128.6 36.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 1.0 110.547 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 59.3 m -150.16 174.53 12.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.509 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.1 -42.31 76.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.616 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -178.76 63.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.511 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 71.7 t -93.01 120.1 67.27 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.544 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -78.09 130.72 10.46 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.849 2.366 . . . . 1.0 112.096 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 26.4 mt 59.11 -124.72 1.3 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.607 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 63.75 33.22 86.67 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -134.11 157.84 76.7 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.943 0.401 . . . . 1.0 110.542 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -45.37 154.79 0.47 Allowed 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.916 2.411 . . . . 1.0 112.162 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 47.0 mt -70.15 -18.93 63.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.438 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . 0.532 HE21 HG21 ' A' ' 104' ' ' VAL . 0.0 OUTLIER -132.13 129.35 39.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.431 -179.537 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -112.37 103.48 55.44 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.693 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -48.5 146.96 9.76 Favored 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.743 2.295 . . . . 1.0 111.985 177.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -127.82 137.78 56.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.562 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.571 ' OD1' HAD2 ' A' ' 301' ' ' CYC . 0.3 OUTLIER -42.29 150.74 0.38 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.493 -179.704 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -50.54 -10.29 0.26 Allowed 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.854 2.369 . . . . 1.0 111.918 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.42 ' H ' ' C ' ' A' ' 136' ' ' ASP . 0.7 OUTLIER -68.85 -43.15 76.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.386 179.127 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.631 ' NE2' HD11 ' A' ' 143' ' ' LEU . 0.0 OUTLIER -82.39 -41.2 20.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.302 -175.357 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.61 ' CG2' ' N ' ' A' ' 141' ' ' HIS . 1.7 m -54.71 -48.96 71.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.527 -178.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.61 ' N ' ' CG2' ' A' ' 140' ' ' VAL . 31.1 t-80 -69.45 -41.91 75.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.448 178.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . 0.506 ' CZ ' ' CE ' ' A' ' 146' ' ' MET . 52.5 t80 -45.8 -42.75 12.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.459 178.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.631 HD11 ' NE2' ' A' ' 139' ' ' HIS . 83.9 mt -71.37 -48.38 50.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.454 177.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -57.86 -42.86 85.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.472 -179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.508 ' OG ' ' CE1' ' A' ' 141' ' ' HIS . 25.9 m -54.6 -27.7 41.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.417 178.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.506 ' CE ' ' CZ ' ' A' ' 142' ' ' TYR . 28.8 mtt -92.59 0.04 57.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.465 177.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 71.74 24.88 76.11 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 178.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.563 ' CG2' ' O ' ' A' ' 150' ' ' SER . 0.4 OUTLIER -113.02 122.06 66.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.836 0.351 . . . . 1.0 110.616 178.844 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -89.84 -24.57 21.38 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.293 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.563 ' O ' ' CG2' ' A' ' 148' ' ' VAL . 50.2 m -108.06 135.03 50.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.18 -178.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.473 ' OG ' HG21 ' A' ' 103' ' ' ILE . 1.4 p -136.73 116.72 13.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.884 0.374 . . . . 1.0 111.127 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 21.5 tp -116.64 134.11 55.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.009 178.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.416 ' C ' ' CG2' ' A' ' 154' ' ' VAL . 0.0 OUTLIER -126.81 156.88 38.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.046 0.451 . . . . 1.0 111.254 -178.609 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.416 ' CG2' ' C ' ' A' ' 153' ' ' VAL . 1.4 t -151.42 76.08 7.73 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 115.727 -0.67 . . . . 1.0 109.963 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_exo -47.57 145.19 9.38 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.972 2.448 . . . . 1.0 112.688 -176.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 28.9 mt -111.86 96.82 6.28 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.881 -0.6 . . . . 1.0 110.222 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 17.9 ptm -112.58 134.54 54.05 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.796 -179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . 0.524 ' CE1' ' CB ' ' A' ' 196' ' ' ALA . 29.3 t60 -112.71 124.16 51.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.425 177.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.411 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 79.5 t60 67.4 -110.8 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.408 -178.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . 0.401 ' N ' ' CG ' ' A' ' 159' ' ' HIS . 23.5 tt0 -120.11 3.04 10.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.427 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.54 ' C ' HD12 ' A' ' 162' ' ' LEU . 58.9 mm-40 -114.47 163.32 15.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.559 -177.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 162' ' ' LEU . 10.5 mp -104.64 122.06 44.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.485 177.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 50.8 m95 -104.97 -41.63 5.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.909 -176.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -143.25 175.15 23.48 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.306 -0.718 . . . . 1.0 111.306 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.6 tp -146.4 134.18 21.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.747 0.308 . . . . 1.0 110.451 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 40.7 tp -104.75 143.17 33.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.618 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.516 HG21 ' OB ' ' A' ' 301' ' ' CYC . 13.0 p -148.01 136.71 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.692 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.572 ' O ' ' ND1' ' A' ' 169' ' ' HIS . 2.5 m -123.99 142.51 51.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.358 179.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . 0.572 ' ND1' ' O ' ' A' ' 168' ' ' SER . 12.2 m-70 -142.78 137.69 29.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.723 -179.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -171.22 169.35 6.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.487 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.416 ' HB2' ' NH1' ' A' ' 73' ' ' ARG . . . -55.51 -171.84 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.617 178.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . 0.486 ' O ' ' OE1' ' A' ' 172' ' ' GLU . 0.0 OUTLIER -117.51 79.53 12.29 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.619 179.762 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -83.66 -55.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.856 2.37 . . . . 1.0 112.167 178.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 11.9 mtp-105 -144.79 153.25 54.0 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.524 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.17 175.17 5.08 Favored 'Trans proline' 0 C--N 1.305 -1.722 0 C-N-CA 122.812 2.341 . . . . 1.0 112.079 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . 0.473 ' CD1' ' O ' ' A' ' 176' ' ' TYR . 30.2 p90 -119.61 133.88 55.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.618 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 53.3 p -83.76 140.63 31.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.58 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -66.53 -36.94 83.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.518 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -60.39 -55.81 29.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.517 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -64.74 -32.68 74.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.459 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . 0.507 HD11 HH12 ' A' ' 101' ' ' ARG . 30.4 tp -57.49 -43.4 84.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.409 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -58.04 -49.88 75.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.299 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 64.4 t -43.32 -42.41 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.139 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . 0.493 ' O ' ' N ' ' A' ' 187' ' ' LEU . 93.5 t -73.88 -38.76 50.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.141 179.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.537 ' CD ' HH21 ' A' ' 101' ' ' ARG . 6.8 tt0 -45.23 -37.68 4.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.078 178.327 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 19.6 tp -72.42 -34.2 67.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.978 -0.556 . . . . 1.0 110.078 177.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 184' ' ' VAL . 6.7 tt -56.01 -34.5 65.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.079 178.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -75.54 -39.61 58.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.156 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -55.06 -41.39 71.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.088 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -54.74 -53.63 52.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.119 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 194' ' ' ALA . 78.4 t -51.28 -44.71 31.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.084 178.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 4.3 t -47.99 -30.33 4.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.053 -0.521 . . . . 1.0 110.078 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 7.8 mm -80.19 -32.19 13.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.09 178.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . 0.447 ' O ' ' HB2' ' A' ' 198' ' ' ALA . . . -71.03 -46.75 61.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.203 -178.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 2.3 pp -67.15 -32.61 58.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.268 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.524 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.65 -56.54 4.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.347 178.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -59.26 -25.67 64.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.337 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 194' ' ' ALA . . . -74.4 -37.69 63.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.416 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -51.6 -37.51 50.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.453 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 43.5 tp -57.93 -58.62 7.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.482 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 88.1 p -53.65 -42.38 67.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.529 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.537 ' N ' HD12 ' A' ' 202' ' ' LEU . 10.7 mp . . . . . 0 C--O 1.219 -0.53 0 CA-C-O 117.983 -1.008 . . . . 1.0 110.603 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 301' ' ' CYC . . . . . 0.768 HBA1 ' HB1' ' A' ' 91' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.1 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.827 0.346 . . . . 1.0 110.537 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -63.46 -34.6 78.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.568 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -76.87 -56.31 4.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.57 -179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.732 HD13 ' O ' ' A' ' 34' ' ' ILE . 0.2 OUTLIER -56.22 -36.48 46.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.557 -178.381 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.454 ' O ' ' OG1' ' A' ' 38' ' ' THR . 84.1 mt -72.35 -27.18 62.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.661 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.481 ' O ' HG12 ' A' ' 39' ' ' VAL . 59.3 ttt180 -57.76 -34.66 69.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.561 179.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.18 -25.07 34.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.628 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 34' ' ' ILE . 59.4 p -71.34 -48.18 51.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.656 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.481 HG12 ' O ' ' A' ' 36' ' ' ARG . 4.4 p -56.53 -39.41 61.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.664 179.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.455 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 98.2 mt-10 -70.95 -40.05 72.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.598 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -62.66 -43.98 97.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.502 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 70.1 t -64.2 -49.96 78.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.534 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.537 ' O ' ' N ' ' A' ' 47' ' ' GLY . 5.7 tmm_? -48.81 -44.61 39.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.512 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.04 -40.58 94.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.544 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -72.99 -52.88 12.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.608 -179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.565 ' O ' ' N ' ' A' ' 48' ' ' THR . 97.9 mt -79.82 -0.59 35.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.576 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.63 20.89 0.03 OUTLIER Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 178.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.565 ' N ' ' O ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -72.42 136.67 46.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.899 0.38 . . . . 1.0 110.63 179.491 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.535 ' CG ' ' ND1' ' A' ' 170' ' ' HIS . 58.6 m-20 -54.97 -37.98 67.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.609 -177.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.735 ' NH2' ' H ' ' A' ' 74' ' ' LEU . 67.3 mtt85 -144.66 125.1 13.91 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.24 -0.437 . . . . 1.0 111.017 -176.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 13.9 p -144.25 138.62 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.867 -0.606 . . . . 1.0 109.834 177.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -144.28 163.05 34.84 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.022 0.439 . . . . 1.0 111.271 -177.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 73.3 t -107.03 140.53 24.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.77 -0.65 . . . . 1.0 109.83 178.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.629 ' HB2' HBB1 ' A' ' 301' ' ' CYC . 17.4 t80 -123.92 120.42 32.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.893 0.378 . . . . 1.0 111.222 -178.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.532 ' NE ' ' OG1' ' A' ' 63' ' ' THR . 1.5 ppt_? -95.53 164.86 12.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.011 -0.54 . . . . 1.0 110.007 179.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -130.28 145.26 51.74 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.765 -0.374 . . . . 1.0 110.909 -178.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.476 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 22.0 t70 -116.01 133.66 22.85 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.298 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -44.04 -31.11 3.69 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.755 2.304 . . . . 1.0 112.044 179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -71.69 -9.64 58.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.43 -178.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.96 18.21 27.83 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.8 -0.92 . . . . 1.0 110.8 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.476 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 85.3 m-70 -114.93 139.75 49.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.863 0.363 . . . . 1.0 110.745 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.731 ' O ' HG23 ' A' ' 81' ' ' THR . . . -134.53 155.94 22.18 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.627 -0.989 . . . . 1.0 110.627 179.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.532 ' OG1' ' NE ' ' A' ' 55' ' ' ARG . 18.8 p -138.91 159.66 41.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.837 0.351 . . . . 1.0 110.831 -177.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.706 ' CG1' ' H ' ' A' ' 79' ' ' GLY . 11.7 p -101.05 113.74 38.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.156 175.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.3 m -101.41 3.69 10.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.883 -175.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -160.45 148.19 16.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 1.0 110.898 -179.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.541 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 87.9 tt0 -167.67 126.33 1.27 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.258 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -124.87 133.36 53.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.816 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 49.6 mtm180 -114.35 141.71 47.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.503 -179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -91.72 -74.87 1.29 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 178.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -86.24 -120.9 1.21 Allowed Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.741 -0.944 . . . . 1.0 110.741 178.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -174.06 53.14 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.797 0.332 . . . . 1.0 110.601 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.42 ' H ' ' HG2' ' A' ' 73' ' ' ARG . 10.7 ptp180 -90.49 -19.56 23.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.56 176.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.735 ' H ' ' NH2' ' A' ' 50' ' ' ARG . 9.0 mt -130.3 162.73 52.55 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.538 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -81.88 173.16 11.39 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.749 2.3 . . . . 1.0 112.049 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 60.0 p -90.61 139.68 30.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.649 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.507 ' O ' ' C ' ' A' ' 78' ' ' LEU . 31.5 mt -113.47 -18.32 12.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.494 -178.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.541 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 7.8 tp -32.16 135.58 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.524 -177.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.706 ' H ' ' CG1' ' A' ' 64' ' ' VAL . . . 92.82 1.44 67.85 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 -179.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.759 HD23 ' N ' ' A' ' 81' ' ' THR . 3.5 tt -85.78 124.11 31.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.343 . . . . 1.0 110.587 -178.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.759 ' N ' HD23 ' A' ' 80' ' ' LEU . 29.0 m -94.71 122.73 37.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.616 177.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.504 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 11.2 m-85 -97.01 137.67 21.28 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.464 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -78.83 146.21 20.62 Favored 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.828 2.352 . . . . 1.0 112.182 177.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.6 -35.88 73.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.683 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -47.21 -23.17 1.67 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -52.63 -28.41 21.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.367 . . . . 1.0 110.619 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 14.9 pt -137.28 138.51 25.33 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.468 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.45 -94.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.859 2.372 . . . . 1.0 112.234 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -172.89 -25.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.605 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.439 ' OE1' ' OG ' ' A' ' 114' ' ' SER . 20.6 pt-20 -70.1 -41.24 74.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.53 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.535 ' HB1' HBA1 ' A' ' 301' ' ' CYC . . . -62.15 -34.69 76.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.522 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -65.25 -21.44 66.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.602 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.3 mmt85 -57.9 -54.78 43.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.45 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.628 ' O ' ' N ' ' A' ' 98' ' ' ALA . 8.7 mp -47.18 -49.4 22.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.428 . . . . 1.0 110.513 178.202 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -64.82 -18.53 65.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.764 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -92.35 -35.24 13.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.672 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 23.1 mt -106.62 -41.36 5.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.177 -177.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.628 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -83.51 -28.01 28.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.432 -177.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.491 ' C ' ' O ' ' A' ' 98' ' ' ALA . 93.1 mt-30 32.68 58.56 0.42 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.358 179.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.524 HG12 HG12 ' A' ' 102' ' ' VAL . 11.3 t -106.02 -46.48 8.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.844 176.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 2.4 mtm180 56.18 55.69 6.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.165 173.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.625 ' C ' HD12 ' A' ' 103' ' ' ILE . 8.2 p -146.91 128.19 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.634 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.625 HD12 ' C ' ' A' ' 102' ' ' VAL . 1.7 mp -112.19 135.01 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.721 178.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.429 HG22 ' H ' ' A' ' 104' ' ' VAL . 0.7 OUTLIER -82.65 170.3 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.309 -178.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -50.02 122.66 6.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.416 -0.357 . . . . 1.0 110.443 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 16.8 m -58.7 -10.1 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.552 179.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -76.35 -33.71 58.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.366 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.13 -13.2 10.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.431 178.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 49.52 62.91 2.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.73 179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.3 p -84.7 136.29 33.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.36 174.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 94.2 mtm-85 -119.58 129.0 54.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.848 -176.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.425 ' OG ' ' N ' ' A' ' 113' ' ' ILE . 1.0 OUTLIER -126.05 171.16 11.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.228 177.546 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.63 ' CG1' ' H ' ' A' ' 114' ' ' SER . 4.7 tt -176.14 -176.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.754 -178.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.63 ' H ' ' CG1' ' A' ' 113' ' ' ILE . 22.9 m -71.66 158.43 36.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.697 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -176.93 69.82 0.23 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.492 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -45.62 137.35 11.88 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.815 2.344 . . . . 1.0 112.222 -179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -131.83 167.58 19.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.654 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.559 ' O ' ' CG ' ' A' ' 119' ' ' TRP . 95.9 p -114.54 136.06 53.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.651 179.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.559 ' CG ' ' O ' ' A' ' 118' ' ' SER . 33.2 m95 -169.25 -96.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.625 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 121' ' ' LEU . . . 99.45 9.7 49.8 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.437 ' O ' ' O ' ' A' ' 120' ' ' GLY . 77.9 mt -57.11 -156.32 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.755 0.312 . . . . 1.0 110.605 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 54.2 p -57.63 161.81 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.554 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.66 -39.55 91.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.552 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.459 ' CG ' ' O ' ' A' ' 124' ' ' ARG . 6.5 ptm180 -104.36 81.0 1.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.539 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.454 ' O ' HG23 ' A' ' 125' ' ' VAL . 35.1 m -64.32 126.48 90.53 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.54 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -43.32 167.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.794 2.33 . . . . 1.0 112.08 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 16.8 tp -43.78 -75.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.628 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 51.54 33.74 33.84 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.862 -0.895 . . . . 1.0 110.862 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.457 ' OE1' ' NH1' ' A' ' 133' ' ' ARG . 46.9 mt-10 -144.72 158.78 52.66 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.892 0.377 . . . . 1.0 110.596 -179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -46.77 160.99 0.21 Allowed 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.817 2.345 . . . . 1.0 112.16 179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 30.4 mt -75.02 5.39 5.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.401 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . 0.633 ' NE2' ' N ' ' A' ' 132' ' ' GLN . 0.0 OUTLIER -133.24 155.44 49.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.477 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.589 ' NE ' HD23 ' A' ' 94' ' ' LEU . 3.1 tpm_? -109.08 103.61 52.75 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.688 -179.418 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -80.57 143.66 15.3 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.775 2.316 . . . . 1.0 111.982 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 1.9 t -130.55 138.82 52.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.506 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.489 ' HB2' HAD2 ' A' ' 301' ' ' CYC . 0.9 OUTLIER -41.26 153.47 0.24 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.429 -179.745 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 8.7 Cg_endo -50.07 -24.34 10.83 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.797 2.332 . . . . 1.0 111.953 -178.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -53.73 -51.06 64.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.482 178.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.628 ' NE2' HD11 ' A' ' 143' ' ' LEU . 0.1 OUTLIER -70.54 -37.05 74.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.281 -179.259 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 48.9 t -52.01 -64.36 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.473 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -61.76 -39.81 92.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.447 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . 0.479 ' CZ ' ' CE ' ' A' ' 146' ' ' MET . 60.5 t80 -44.97 -45.18 10.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.416 179.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.628 HD11 ' NE2' ' A' ' 139' ' ' HIS . 88.1 mt -69.37 -50.75 43.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.407 178.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -54.35 -40.84 68.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.439 -178.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 29.2 t -55.4 -25.2 34.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.479 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.479 ' CE ' ' CZ ' ' A' ' 142' ' ' TYR . 29.0 mtt -93.15 -0.71 56.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.457 177.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 68.82 25.25 75.33 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.862 -0.895 . . . . 1.0 110.862 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.693 HG11 ' HB3' ' A' ' 169' ' ' HIS . 5.3 m -111.37 119.12 59.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.755 0.312 . . . . 1.0 110.697 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -81.6 -27.53 34.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.215 -179.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 34.5 t -106.8 146.46 30.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.863 -0.608 . . . . 1.0 110.116 -178.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.41 ' OG ' ' CG2' ' A' ' 103' ' ' ILE . 2.5 p -147.03 111.86 5.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.897 0.379 . . . . 1.0 111.161 179.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 43.1 tp -108.53 133.17 53.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.0 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.441 ' O ' HG23 ' A' ' 154' ' ' VAL . 1.5 p -129.54 152.08 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.083 0.468 . . . . 1.0 111.207 -178.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 153' ' ' VAL . 69.3 t -157.1 89.15 2.57 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.703 -0.681 . . . . 1.0 109.941 -177.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -55.47 153.17 29.76 Favored 'Trans proline' 0 C--N 1.304 -1.796 0 C-N-CA 122.967 2.445 . . . . 1.0 112.66 -176.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 31.0 mt -109.13 97.92 7.45 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.856 -0.611 . . . . 1.0 110.263 177.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 59.7 mtp -106.88 124.02 49.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.786 -176.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . 0.579 ' CE1' ' CB ' ' A' ' 196' ' ' ALA . 22.1 t60 -114.6 120.11 39.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.401 176.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.507 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 38.9 t-80 77.35 -114.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.336 -176.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -122.21 2.78 9.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.417 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -117.18 168.13 10.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.526 -178.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 6.3 tt -104.01 123.59 47.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.433 178.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . 0.526 ' CE3' ' OE2' ' A' ' 199' ' ' GLU . 50.9 m95 -104.96 -38.78 6.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.835 -176.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -141.21 174.42 22.83 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.243 -0.743 . . . . 1.0 111.243 -178.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.4 tp -143.25 130.98 21.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.714 0.292 . . . . 1.0 110.423 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.41 ' HB3' ' O ' ' A' ' 154' ' ' VAL . 12.5 tp -104.75 138.69 40.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.626 178.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.47 HG11 ' OB ' ' A' ' 301' ' ' CYC . 70.8 t -150.67 132.29 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.691 -178.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.454 ' O ' ' ND1' ' A' ' 169' ' ' HIS . 4.9 m -118.79 146.05 45.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.397 178.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . 0.693 ' HB3' HG11 ' A' ' 148' ' ' VAL . 20.2 m-70 -138.61 136.43 35.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.748 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . 0.709 ' CD2' ' N ' ' A' ' 171' ' ' ALA . 43.7 t60 -170.47 168.57 7.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.443 -178.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.709 ' N ' ' CD2' ' A' ' 170' ' ' HIS . . . -54.96 -167.48 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.561 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -114.2 94.42 34.92 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.592 179.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . 0.404 ' HG2' ' H ' ' A' ' 174' ' ' ARG . 94.1 Cg_endo -85.5 -65.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.851 2.368 . . . . 1.0 112.098 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.404 ' H ' ' HG2' ' A' ' 173' ' ' PRO . 89.0 mtt180 -151.39 153.52 32.48 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.548 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_exo -49.43 170.97 0.08 OUTLIER 'Trans proline' 0 C--N 1.307 -1.656 0 C-N-CA 122.759 2.306 . . . . 1.0 112.106 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . 0.404 ' CD1' ' O ' ' A' ' 176' ' ' TYR . 16.2 p90 -117.13 139.11 51.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.31 -0.404 . . . . 1.0 110.645 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 25.9 t -95.39 141.2 29.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.529 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -63.58 -32.66 74.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.519 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.09 -50.12 73.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.479 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -68.51 -31.3 70.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.436 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 32.0 tp -58.44 -35.35 71.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.436 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.429 ' HA ' HE21 ' A' ' 185' ' ' GLN . 63.6 tt0 -68.26 -50.54 53.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.372 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 54.3 t -43.02 -50.13 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.135 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 5.0 p -74.52 -36.51 41.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.237 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.429 HE21 ' HA ' ' A' ' 182' ' ' GLN . 6.9 tt0 -47.73 -40.34 20.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.056 178.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 14.4 tp -73.51 -33.87 64.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.069 178.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 6.7 tt -56.58 -32.73 65.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.069 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -73.63 -38.51 65.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.067 178.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -58.67 -40.31 83.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.183 179.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . 0.603 ' O ' HG22 ' A' ' 193' ' ' ILE . 62.7 tt0 -53.9 -56.66 15.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.14 179.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 194' ' ' ALA . 88.3 t -52.43 -41.79 36.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.144 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 1.7 m -47.25 -28.7 2.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.016 -0.538 . . . . 1.0 110.093 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . 0.603 HG22 ' O ' ' A' ' 190' ' ' GLN . 3.3 tt -79.98 -32.61 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.138 179.065 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 191' ' ' VAL . . . -72.43 -47.33 49.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.163 -179.311 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . 0.46 HG23 ' N ' ' A' ' 196' ' ' ALA . 3.4 tp -62.57 -39.07 83.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.233 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.579 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.27 -54.64 6.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.35 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . 0.417 ' O ' ' NE2' ' A' ' 197' ' ' GLN . 15.2 tm0? -56.7 -25.27 53.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.345 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -74.15 -37.81 63.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.48 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . 0.526 ' OE2' ' CE3' ' A' ' 163' ' ' TRP . 94.5 mt-10 -51.87 -38.47 56.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.408 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 28.9 tp -52.37 -67.05 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.465 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 19.3 m -66.38 -50.23 64.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.583 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 46.2 mt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.059 -0.972 . . . . 1.0 110.565 179.935 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 301' ' ' CYC . . . . . 0.629 HBB1 ' HB2' ' A' ' 54' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.628 HD21 HH12 ' A' ' 55' ' ' ARG . 12.0 tp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.788 0.328 . . . . 1.0 110.542 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.7 p-10 -64.42 -32.18 73.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.565 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -76.87 -50.66 12.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.526 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.701 HD13 ' O ' ' A' ' 34' ' ' ILE . 0.3 OUTLIER -62.35 -29.33 46.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.557 -179.203 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.686 ' O ' HG22 ' A' ' 38' ' ' THR . 76.6 mt -80.29 -19.36 46.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.644 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.585 ' O ' HG12 ' A' ' 39' ' ' VAL . 53.1 ttm-85 -73.66 -34.87 65.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.539 179.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.3 -25.33 29.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.592 -178.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.686 HG22 ' O ' ' A' ' 35' ' ' LEU . 2.7 t -71.73 -43.0 66.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.6 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 36' ' ' ARG . 4.1 p -56.3 -38.01 53.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.686 178.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.436 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 98.8 mt-10 -75.22 -34.48 61.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.607 179.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -66.08 -52.53 47.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.519 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.568 HG13 ' N ' ' A' ' 43' ' ' ARG . 10.1 p -61.71 -44.98 99.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.541 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.568 ' N ' HG13 ' A' ' 42' ' ' VAL . 4.7 tmm_? -49.63 -42.94 46.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.555 179.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.54 -36.77 81.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.529 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -77.22 -50.25 13.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.549 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.574 ' N ' HD12 ' A' ' 46' ' ' LEU . 9.9 mp -78.86 -3.77 46.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.53 178.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.534 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.88 20.37 0.03 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.984 -0.846 . . . . 1.0 110.984 178.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.554 ' N ' ' O ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -71.88 136.0 46.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.77 0.319 . . . . 1.0 110.613 179.469 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.524 ' O ' ' N ' ' A' ' 70' ' ' GLY . 52.5 m-20 -55.33 -39.86 70.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.587 -177.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.558 HH12 ' NZ ' ' A' ' 52' ' ' LYS . 68.5 ttp85 -140.45 124.13 17.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.028 0.442 . . . . 1.0 111.025 -176.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.7 p -145.3 136.68 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.861 -0.609 . . . . 1.0 109.841 176.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.558 ' NZ ' HH12 ' A' ' 50' ' ' ARG . 23.8 pttm -145.52 163.79 33.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.042 0.449 . . . . 1.0 111.236 -177.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.675 HG12 ' HB3' ' A' ' 66' ' ' ALA . 9.2 p -108.23 138.68 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.669 -0.696 . . . . 1.0 109.828 178.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.575 ' HB2' HBB1 ' A' ' 301' ' ' CYC . 18.7 t80 -119.9 119.76 34.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.904 0.383 . . . . 1.0 111.222 -178.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.628 HH12 HD21 ' A' ' 31' ' ' LEU . 26.8 mmm-85 -93.63 162.56 13.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.966 -0.561 . . . . 1.0 109.899 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -131.66 145.72 51.81 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.744 -0.383 . . . . 1.0 110.944 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.511 ' N ' ' O ' ' A' ' 61' ' ' HIS . 10.8 m-20 -117.78 136.27 23.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.949 -0.569 . . . . 1.0 110.298 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -45.17 -29.11 3.92 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.728 2.286 . . . . 1.0 112.065 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -74.2 -7.39 52.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.371 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.73 19.75 28.5 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.825 -0.91 . . . . 1.0 110.825 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.511 ' O ' ' N ' ' A' ' 57' ' ' ASP . 92.5 m-70 -116.05 140.01 49.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 1.0 110.715 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.443 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -135.45 157.3 23.13 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.644 -0.983 . . . . 1.0 110.644 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 70.9 p -140.03 159.03 43.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 1.0 110.738 -178.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.3 t -100.98 113.95 38.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.231 176.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 23.3 m -102.05 3.43 10.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.88 -176.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.675 ' HB3' HG12 ' A' ' 53' ' ' VAL . . . -158.72 146.01 17.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.938 0.399 . . . . 1.0 110.913 -179.172 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.532 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 88.7 tt0 -167.27 126.11 1.35 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.279 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -122.87 130.48 52.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.803 178.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.463 ' HA ' ' O ' ' A' ' 49' ' ' ASP . 79.1 mtm180 -109.82 141.04 43.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.462 -179.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -91.77 -103.54 1.4 Allowed Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -67.24 1.23 6.83 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.771 -0.932 . . . . 1.0 110.771 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 58.52 62.57 1.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.785 0.326 . . . . 1.0 110.536 179.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.499 ' NH2' ' O ' ' A' ' 147' ' ' GLY . 5.6 ptm180 -86.52 -52.22 5.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.518 178.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.434 ' H ' ' HG3' ' A' ' 73' ' ' ARG . 14.3 mt -99.69 146.31 31.62 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.545 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_exo -54.68 173.99 0.22 Allowed 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.678 2.252 . . . . 1.0 112.087 179.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 47.6 p -88.33 129.41 35.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.711 179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.485 ' O ' ' C ' ' A' ' 78' ' ' LEU . 28.0 mt -103.62 -19.55 14.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.433 -178.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.532 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 22.5 tp -33.56 136.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.513 -177.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.87 0.37 66.4 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.854 -0.898 . . . . 1.0 110.854 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 mt -88.96 126.0 35.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.719 0.295 . . . . 1.0 110.571 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.446 ' O ' HG23 ' A' ' 81' ' ' THR . 8.8 t -100.1 128.82 46.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.619 177.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.502 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 8.3 m-85 -105.39 143.73 27.38 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.503 -179.055 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -78.86 147.64 21.65 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.875 2.383 . . . . 1.0 112.141 178.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.73 -35.7 68.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.604 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.08 -23.83 4.14 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.547 ' OD2' HMB3 ' A' ' 301' ' ' CYC . 61.2 t0 -55.24 -31.79 61.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.838 0.351 . . . . 1.0 110.55 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.403 HD13 HG21 ' A' ' 87' ' ' ILE . 24.8 mt -125.29 131.5 24.08 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.542 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.91 -103.46 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.836 2.357 . . . . 1.0 112.159 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -164.43 -54.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.566 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.44 ' OE1' ' OG ' ' A' ' 114' ' ' SER . 23.0 pt-20 -46.46 -37.68 8.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.571 -179.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -70.06 -48.64 57.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.553 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.406 HH21 ' HB2' ' A' ' 162' ' ' LEU . 57.0 ttt180 -56.4 -22.74 33.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.553 -178.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 68.8 mtp85 -67.41 -48.57 66.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.471 -178.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 98' ' ' ALA . 23.4 mt -46.35 -54.08 9.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.478 -178.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -60.24 -26.1 66.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.743 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -86.0 -20.53 28.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.733 179.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 8.8 mp -105.47 -48.91 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.255 -178.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -95.67 -16.64 21.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.47 -175.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.488 ' C ' ' O ' ' A' ' 98' ' ' ALA . 89.1 mt-30 34.51 63.08 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.355 178.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.616 HG23 ' N ' ' A' ' 101' ' ' ARG . 26.4 m -113.18 -48.19 5.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.811 176.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.616 ' N ' HG23 ' A' ' 100' ' ' VAL . 1.3 mtt180 58.38 63.99 1.59 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.24 174.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.19 123.08 14.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.606 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.455 HD12 ' OG ' ' A' ' 151' ' ' SER . 97.1 mt -110.57 130.14 64.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.723 178.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.5 m -81.56 169.17 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.306 -177.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -51.96 123.2 9.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.427 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 26.4 m -57.67 -8.69 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.518 178.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -75.53 -33.84 60.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.36 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.42 -15.87 51.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.389 179.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 19.9 mm100 50.31 59.99 4.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.673 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 4.2 m -88.02 140.12 29.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.399 175.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -121.11 131.58 54.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.85 -177.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.424 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 6.1 t -136.47 115.18 12.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.201 177.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.404 HG21 HD13 ' A' ' 113' ' ' ILE . 26.9 pt -120.88 -166.34 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.741 -178.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.44 ' OG ' ' OE1' ' A' ' 90' ' ' GLU . 25.8 m -77.73 173.96 11.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.653 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -148.05 149.57 32.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.458 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -69.24 -37.86 9.78 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.832 2.354 . . . . 1.0 112.207 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.422 ' O ' ' OG ' ' A' ' 118' ' ' SER . 95.2 mt-10 -143.37 130.48 20.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.614 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 117' ' ' GLU . 58.0 m -170.04 -117.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.597 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 11.5 m-90 -72.19 144.56 48.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.558 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -153.29 -104.98 0.26 Allowed Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.919 -0.872 . . . . 1.0 110.919 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 38.2 mt -87.14 134.94 33.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.785 0.326 . . . . 1.0 110.536 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 83.9 p -154.23 157.79 39.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.54 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.442 ' O ' ' HB2' ' A' ' 124' ' ' ARG . . . -80.36 -63.5 1.4 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.58 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.442 ' HB2' ' O ' ' A' ' 123' ' ' ALA . 57.5 ttm-85 177.25 75.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.577 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.613 ' O ' HG13 ' A' ' 125' ' ' VAL . 8.9 p -98.54 113.56 64.37 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.564 -178.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -81.31 128.34 6.25 Favored 'Trans proline' 0 C--N 1.306 -1.689 0 C-N-CA 122.781 2.321 . . . . 1.0 112.124 178.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.433 ' O ' ' OE2' ' A' ' 129' ' ' GLU . 6.9 tp 60.61 -121.3 0.9 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.572 -179.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 76.51 -0.51 64.38 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -113.19 173.78 2.67 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 120.954 0.407 . . . . 1.0 110.544 179.858 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.4 ' CD ' ' CB ' ' A' ' 129' ' ' GLU . 61.1 Cg_exo -50.13 159.24 1.92 Allowed 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.889 2.393 . . . . 1.0 112.164 -179.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.665 ' N ' HD12 ' A' ' 131' ' ' LEU . 8.7 mp -70.27 -10.02 57.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.465 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -131.77 170.3 15.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.447 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.413 ' HE ' ' HB3' ' A' ' 94' ' ' LEU . 0.0 OUTLIER -135.94 119.82 12.77 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.632 -179.48 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -78.85 144.14 18.96 Favored 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.716 2.277 . . . . 1.0 112.025 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.612 HG23 ' NE2' ' A' ' 139' ' ' HIS . 0.0 OUTLIER -126.96 134.66 65.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.526 -179.758 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.739 ' OD1' HBD2 ' A' ' 301' ' ' CYC . 1.1 p30 -45.72 155.33 0.49 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.463 -179.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -49.57 -12.02 0.3 Allowed 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.855 2.37 . . . . 1.0 111.91 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.462 ' SG ' ' CHD' ' A' ' 301' ' ' CYC . 0.1 OUTLIER -57.98 -41.97 84.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.428 179.407 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.612 ' NE2' HG23 ' A' ' 135' ' ' VAL . 0.2 OUTLIER -82.38 -28.1 31.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.271 -178.799 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 40.7 t -51.61 -63.57 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.517 -178.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -64.52 -43.56 93.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.456 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -47.27 -54.14 11.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.484 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.559 HD12 ' ND1' ' A' ' 139' ' ' HIS . 96.9 mt -66.82 -52.12 47.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.437 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 44.2 tptt -53.52 -40.96 65.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.413 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 22.9 t -53.96 -24.26 15.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.527 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 49.4 mtt -93.24 -1.69 55.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.395 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.499 ' O ' ' NH2' ' A' ' 73' ' ' ARG . . . 71.51 25.97 74.15 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 179.171 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.624 HG13 ' O ' ' A' ' 148' ' ' VAL . 5.0 p -110.44 120.38 61.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.775 0.322 . . . . 1.0 110.701 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -84.16 -33.26 24.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.264 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.598 ' O ' HG22 ' A' ' 148' ' ' VAL . 26.7 t -106.79 146.7 30.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.146 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.455 ' OG ' HD12 ' A' ' 103' ' ' ILE . 2.0 t -148.41 119.34 7.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.917 0.389 . . . . 1.0 111.054 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 52.5 tp -112.45 117.7 33.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.98 -0.554 . . . . 1.0 109.999 177.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.611 HG13 ' HB3' ' A' ' 101' ' ' ARG . 2.0 p -100.64 153.02 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.036 0.446 . . . . 1.0 111.202 -178.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.559 ' O ' ' HB3' ' A' ' 166' ' ' LEU . 43.8 t -155.3 100.42 2.28 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 115.714 -0.676 . . . . 1.0 109.983 -178.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -78.37 151.04 25.84 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.944 2.429 . . . . 1.0 112.693 -178.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 38.7 mt -117.41 97.53 5.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.2 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 21.8 ptm -115.81 137.18 52.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.33 -0.395 . . . . 1.0 110.756 -178.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . 0.448 ' O ' ' HB3' ' A' ' 159' ' ' HIS . 45.8 t60 -113.78 122.92 48.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.405 177.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.448 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 78.3 t60 69.25 -109.34 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.376 -178.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -120.27 2.27 10.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.423 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -115.35 157.18 24.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.578 -176.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.406 ' HB2' HH21 ' A' ' 92' ' ' ARG . 14.6 tp -104.8 123.59 47.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.422 177.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . 0.417 ' CH2' ' OE2' ' A' ' 199' ' ' GLU . 98.9 m95 -102.45 -38.68 7.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.837 -177.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -148.26 178.92 25.53 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.216 -0.754 . . . . 1.0 111.216 -178.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 54' ' ' TYR . 2.1 tp -143.92 130.63 20.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.741 0.305 . . . . 1.0 110.425 -179.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.559 ' HB3' ' O ' ' A' ' 154' ' ' VAL . 4.3 tp -106.98 145.79 31.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.601 178.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 46.6 t -153.78 139.28 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.721 -177.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 16.4 m -120.2 141.08 50.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.362 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 52.0 m-70 -135.5 137.6 42.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.772 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . 0.765 ' CD2' ' N ' ' A' ' 171' ' ' ALA . 24.8 t60 -170.84 166.13 7.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.509 -178.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.765 ' N ' ' CD2' ' A' ' 170' ' ' HIS . . . -51.97 -165.73 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.597 178.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -114.5 92.37 28.14 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.58 179.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -86.58 -62.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.859 2.373 . . . . 1.0 112.095 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 59.4 mtm-85 -147.41 153.91 44.64 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.496 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_exo -49.03 177.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.785 2.323 . . . . 1.0 112.036 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -82.23 115.19 21.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.663 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 31.1 t -76.95 122.62 25.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.529 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -65.9 -30.9 71.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.534 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -64.44 -57.27 9.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.456 -179.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -69.29 -29.45 67.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.454 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 17.3 tp -47.31 -58.2 4.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.376 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -60.71 -52.08 66.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.309 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 59.8 t -43.44 -48.52 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.189 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 86.6 t -74.98 -35.85 36.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.2 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -49.17 -41.59 37.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.094 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 53.0 mt -73.09 -33.71 65.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.042 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 20.0 tp -57.11 -31.21 65.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.084 179.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -72.6 -39.84 67.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.125 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -57.0 -40.09 75.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.152 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . 0.4 ' O ' ' OE1' ' A' ' 190' ' ' GLN . 0.7 OUTLIER -53.49 -55.4 25.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.173 179.709 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 81.9 t -56.25 -42.2 72.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.118 179.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 6.9 t -49.15 -34.47 14.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.056 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.6 mp -79.76 -33.06 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.148 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -70.27 -47.64 60.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.259 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . 0.491 HD11 ' NH2' ' A' ' 55' ' ' ARG . 18.8 tt -63.96 -33.2 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.291 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.439 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.5 -54.44 7.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.392 179.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -58.75 -26.22 63.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.086 -0.507 . . . . 1.0 110.358 179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -74.95 -36.5 62.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.496 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . 0.417 ' OE2' ' CH2' ' A' ' 163' ' ' TRP . 84.8 tt0 -55.61 -39.0 70.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.456 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 39.2 tp -63.6 -59.01 5.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.486 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 23.2 t -59.33 -45.8 90.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.495 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 13.9 tp . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.949 -1.024 . . . . 1.0 110.567 179.817 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 301' ' ' CYC . . . . . 0.739 HBD2 ' OD1' ' A' ' 136' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.6 tp . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.776 0.322 . . . . 1.0 110.521 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -57.37 -32.88 67.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.534 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -76.49 -49.48 16.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.519 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.588 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.4 mp -62.07 -32.96 56.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.589 -178.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.485 ' O ' HG22 ' A' ' 38' ' ' THR . 92.0 mt -78.73 -20.04 50.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.637 -179.264 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.543 ' O ' HG12 ' A' ' 39' ' ' VAL . 69.9 ttt180 -74.35 -34.11 63.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.563 178.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.59 -33.75 23.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.565 -178.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.556 ' CG2' ' N ' ' A' ' 39' ' ' VAL . 2.7 t -66.33 -44.85 82.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.588 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.556 ' N ' ' CG2' ' A' ' 38' ' ' THR . 4.6 p -56.31 -36.41 46.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.593 178.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -70.58 -39.12 74.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.602 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -63.2 -51.14 67.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.544 -179.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.0 t -56.93 -51.5 67.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.527 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.549 ' O ' ' N ' ' A' ' 47' ' ' GLY . 30.7 ttp180 -47.16 -43.17 20.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.577 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.72 -37.58 82.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.458 179.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -76.18 -51.46 12.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.568 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.538 ' O ' ' N ' ' A' ' 48' ' ' THR . 18.2 mt -79.56 -1.11 36.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.587 179.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.549 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 41.44 21.44 0.06 OUTLIER Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 178.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.61 HG22 ' H ' ' A' ' 50' ' ' ARG . 1.2 m -74.5 137.39 42.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.841 0.353 . . . . 1.0 110.537 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 69' ' ' ARG . 76.1 m-20 -69.34 -20.19 63.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.624 -176.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.61 ' H ' HG22 ' A' ' 48' ' ' THR . 62.6 ttp180 -148.76 119.07 7.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.018 0.437 . . . . 1.0 111.017 -178.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 167' ' ' VAL . 9.5 p -147.0 135.3 15.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.828 -0.624 . . . . 1.0 109.87 176.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.5 pttt -144.54 153.92 42.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.022 0.439 . . . . 1.0 111.258 -177.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.656 HG12 ' HB3' ' A' ' 66' ' ' ALA . 9.7 p -96.66 136.7 26.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.668 -0.696 . . . . 1.0 109.889 177.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.641 ' HB2' HBB1 ' A' ' 301' ' ' CYC . 18.1 t80 -120.3 119.89 34.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.935 0.398 . . . . 1.0 111.257 -177.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -95.53 164.31 12.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.988 -0.551 . . . . 1.0 109.89 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -131.3 144.51 51.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.994 0.426 . . . . 1.0 110.827 -178.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.476 ' N ' ' O ' ' A' ' 61' ' ' HIS . 17.6 m-20 -115.55 135.05 22.57 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.319 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -45.22 -28.38 3.55 Favored 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.712 2.275 . . . . 1.0 112.03 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -75.11 -6.68 50.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.437 -178.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.31 18.99 31.62 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.787 -0.925 . . . . 1.0 110.787 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.476 ' O ' ' N ' ' A' ' 57' ' ' ASP . 76.0 m80 -114.29 139.11 49.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.914 0.387 . . . . 1.0 110.646 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.419 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -132.24 153.55 20.62 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.652 -0.979 . . . . 1.0 110.652 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.493 HG22 HG22 ' A' ' 81' ' ' THR . 63.9 p -138.99 158.73 43.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.771 0.32 . . . . 1.0 110.813 -178.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 10.6 t -102.44 116.79 46.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.238 175.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.3 m -106.44 2.65 10.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.809 -175.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.656 ' HB3' HG12 ' A' ' 53' ' ' VAL . . . -157.43 146.43 19.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.887 0.375 . . . . 1.0 110.915 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.404 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 87.3 tt0 -169.64 127.99 0.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.29 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -133.65 151.44 51.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.765 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.548 ' O ' ' NH1' ' A' ' 43' ' ' ARG . 0.6 OUTLIER -137.38 145.87 43.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.441 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -93.18 23.71 28.37 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 177.07 -114.02 0.45 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.786 -0.926 . . . . 1.0 110.786 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -178.17 38.97 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.875 0.369 . . . . 1.0 110.619 179.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -75.36 -57.46 3.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.458 177.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 30.5 mt -91.65 146.5 33.26 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.541 177.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -68.44 166.68 24.76 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.793 2.329 . . . . 1.0 112.06 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 57.5 p -92.47 138.61 31.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.68 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.0 mt -114.12 -10.15 12.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.467 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.404 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 22.8 tp -41.41 137.35 1.51 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.561 -178.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.0 -0.18 72.31 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.434 ' HA ' HD12 ' A' ' 80' ' ' LEU . 18.8 tp -94.3 130.21 40.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.327 . . . . 1.0 110.553 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.493 HG22 HG22 ' A' ' 63' ' ' THR . 3.8 p -99.89 130.34 46.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.585 178.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.469 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 13.9 m-85 -103.71 147.08 33.7 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.526 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -78.98 145.45 19.63 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.811 2.341 . . . . 1.0 112.159 179.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.6 -38.24 80.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.654 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.74 -21.43 4.9 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.404 ' OD1' ' NC ' ' A' ' 301' ' ' CYC . 41.0 t0 -61.38 -29.72 70.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 1.0 110.601 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.59 HD11 HMB2 ' A' ' 301' ' ' CYC . 44.5 mm -112.77 99.11 47.08 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.472 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.542 ' O ' ' O ' ' A' ' 87' ' ' ILE . 76.2 Cg_exo -47.93 -122.61 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.807 2.338 . . . . 1.0 112.214 178.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -154.18 -47.95 0.09 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.573 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -60.24 -38.42 83.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.544 -178.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.98 -39.42 79.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.573 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.553 HH21 ' CG2' ' A' ' 87' ' ' ILE . 29.9 ttm180 -68.74 -23.83 64.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.562 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.533 ' O ' ' N ' ' A' ' 97' ' ' LEU . 27.1 mmt180 -59.84 -54.16 49.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.531 -178.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.514 ' O ' ' N ' ' A' ' 98' ' ' ALA . 23.4 mt -51.03 -38.58 52.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.472 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.452 ' HE2' HG11 ' A' ' 153' ' ' VAL . 7.9 m-85 -67.0 -35.4 79.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.742 178.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 73.5 mtm-85 -87.29 -17.2 33.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.716 178.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.533 ' N ' ' O ' ' A' ' 93' ' ' ARG . 5.8 tp -101.37 -49.07 4.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.248 -177.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.514 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -102.78 -13.0 17.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.416 -176.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.501 ' C ' ' O ' ' A' ' 98' ' ' ALA . 90.5 mt-30 33.78 64.89 0.32 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.394 178.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.701 HG22 HG22 ' A' ' 102' ' ' VAL . 9.9 p -98.91 -50.63 10.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.827 177.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.687 ' N ' HG13 ' A' ' 100' ' ' VAL . 1.5 mtm105 62.22 52.89 3.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.302 172.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.701 HG22 HG22 ' A' ' 100' ' ' VAL . 13.1 m -148.75 126.91 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.66 178.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.679 HD12 ' N ' ' A' ' 103' ' ' ILE . 1.9 mp -108.92 134.68 50.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.741 177.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.676 HG22 ' N ' ' A' ' 105' ' ' ASP . 12.5 p -80.35 169.22 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.282 -177.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.676 ' N ' HG22 ' A' ' 104' ' ' VAL . 3.5 m-20 -47.64 120.63 3.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.466 -178.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.7 p -59.67 -14.31 6.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.495 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -80.0 -31.55 39.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.302 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -56.66 -10.92 1.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.356 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.767 HE21 HH21 ' A' ' 111' ' ' ARG . 54.3 tt0 50.8 62.59 2.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.648 179.049 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.44 135.13 33.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.357 174.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.767 HH21 HE21 ' A' ' 109' ' ' GLN . 98.1 mtt180 -117.62 127.96 54.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.328 -0.396 . . . . 1.0 110.825 -176.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.576 ' O ' HG23 ' A' ' 113' ' ' ILE . 11.0 t -117.06 157.2 26.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.244 176.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.576 HG23 ' O ' ' A' ' 112' ' ' SER . 18.7 pt -159.13 166.95 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.835 -178.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 60.5 p -74.94 173.88 10.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.761 178.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.551 ' O ' ' N ' ' A' ' 117' ' ' GLU . 33.9 tp60 -169.86 80.68 0.63 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.444 -179.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -41.95 83.57 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.807 0 C-N-CA 122.863 2.376 . . . . 1.0 112.235 -179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.551 ' N ' ' O ' ' A' ' 115' ' ' GLN . 85.1 tt0 -167.04 152.26 7.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.595 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.536 ' O ' ' N ' ' A' ' 120' ' ' GLY . 66.6 m -42.78 -98.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.613 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.544 ' CG ' ' O ' ' A' ' 119' ' ' TRP . 75.1 t-105 39.05 24.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.546 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.536 ' N ' ' O ' ' A' ' 118' ' ' SER . . . -143.92 -18.75 0.21 Allowed Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 36.4 tp -90.53 119.42 30.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.836 0.35 . . . . 1.0 110.619 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 66.9 p -158.4 164.91 35.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.551 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.426 ' O ' ' HB2' ' A' ' 124' ' ' ARG . . . -67.93 -63.47 1.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.609 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.426 ' HB2' ' O ' ' A' ' 123' ' ' ALA . 78.9 ttt180 177.41 82.66 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.532 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 2.1 m -117.73 93.08 42.99 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.503 -179.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -52.79 136.9 59.96 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.771 2.314 . . . . 1.0 112.09 179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.435 ' O ' ' OE2' ' A' ' 129' ' ' GLU . 17.8 mt 61.29 -139.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.565 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 91.77 3.32 68.59 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -115.5 171.15 4.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 1.0 110.602 179.562 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.472 ' O ' ' NH2' ' A' ' 133' ' ' ARG . 78.5 Cg_exo -48.76 162.06 0.42 Allowed 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.871 2.38 . . . . 1.0 112.122 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 32.2 mt -70.91 -4.2 23.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.417 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -133.57 168.92 17.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.445 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.505 ' HE ' ' HA ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -131.7 87.33 46.0 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.628 -179.103 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_exo -49.28 141.48 24.11 Favored 'Trans proline' 0 C--N 1.305 -1.743 0 C-N-CA 122.827 2.351 . . . . 1.0 111.947 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 12.2 m -125.96 135.17 64.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.508 -179.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.409 ' CG ' ' O ' ' A' ' 112' ' ' SER . 1.5 m-20 -43.5 151.31 0.47 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.454 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_exo -46.77 -16.24 0.26 Allowed 'Trans proline' 0 C--N 1.305 -1.757 0 C-N-CA 122.891 2.394 . . . . 1.0 111.918 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.44 ' SG ' ' CHD' ' A' ' 301' ' ' CYC . 0.5 OUTLIER -58.54 -47.83 82.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.453 178.488 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.926 ' CE1' HD11 ' A' ' 143' ' ' LEU . 15.5 t-80 -77.15 -30.17 54.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.262 -178.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 53.8 t -50.59 -65.92 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.024 -0.534 . . . . 1.0 110.519 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 73.6 t60 -60.26 -39.32 86.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.457 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -46.72 -49.91 18.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.478 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.926 HD11 ' CE1' ' A' ' 139' ' ' HIS . 88.2 mt -67.58 -51.44 50.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.386 179.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -57.65 -40.66 79.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.46 -178.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 24.3 t -55.89 -28.54 57.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.459 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.549 ' SD ' ' NH2' ' A' ' 50' ' ' ARG . 28.6 mtt -91.07 -0.16 57.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.435 177.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 68.85 24.89 75.55 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.526 HG12 ' O ' ' A' ' 150' ' ' SER . 4.9 t -108.62 123.02 64.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.754 0.312 . . . . 1.0 110.639 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -83.36 -36.75 24.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.289 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.526 ' O ' HG12 ' A' ' 148' ' ' VAL . 49.5 m -103.83 149.96 24.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.889 -0.596 . . . . 1.0 110.069 -177.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.3 p -145.07 109.13 4.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.915 0.388 . . . . 1.0 111.104 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 49.3 tp -105.07 134.31 48.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.015 178.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.582 HG13 ' HB3' ' A' ' 101' ' ' ARG . 9.9 p -129.13 153.28 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.063 0.459 . . . . 1.0 111.222 -178.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.424 ' O ' ' HB3' ' A' ' 166' ' ' LEU . 88.1 t -153.67 81.42 4.86 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 115.673 -0.694 . . . . 1.0 109.909 -178.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -52.49 151.14 19.14 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.932 2.422 . . . . 1.0 112.686 -177.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 29.4 mt -116.57 96.82 5.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.209 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 17.7 ptm -110.42 135.88 50.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.796 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . 0.624 ' CD2' ' CE1' ' A' ' 159' ' ' HIS . 20.1 t60 -113.36 125.28 54.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.354 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.624 ' CE1' ' CD2' ' A' ' 158' ' ' HIS . 4.4 m-70 64.72 -110.58 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.352 -178.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -119.22 2.06 11.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.425 -179.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -115.01 165.26 13.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.617 -177.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 12.2 tp -105.35 119.84 40.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.421 177.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . 0.406 ' CD1' ' N ' ' A' ' 163' ' ' TRP . 32.8 m95 -103.0 -41.8 6.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.863 -177.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -141.9 173.77 23.46 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.2 -0.76 . . . . 1.0 111.2 -178.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 3.9 tp -145.61 129.97 17.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.79 0.329 . . . . 1.0 110.405 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.424 ' HB3' ' O ' ' A' ' 154' ' ' VAL . 21.4 tp -103.33 146.66 28.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.617 178.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.45 ' O ' HG23 ' A' ' 51' ' ' VAL . 14.7 p -150.96 139.0 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.772 -179.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.6 143.27 50.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.381 178.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . 0.575 ' ND1' ' N ' ' A' ' 169' ' ' HIS . 0.0 OUTLIER -138.7 132.91 31.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.824 -179.659 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . 0.743 ' CD2' ' H ' ' A' ' 171' ' ' ALA . 17.3 t-80 -170.69 168.8 7.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.079 -0.51 . . . . 1.0 110.443 -179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.743 ' H ' ' CD2' ' A' ' 170' ' ' HIS . . . -52.1 -163.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.599 179.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -115.62 82.85 10.5 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.589 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -86.24 71.55 4.08 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.849 2.366 . . . . 1.0 112.118 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 53.1 mtt-85 63.49 150.7 0.11 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.491 -179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -48.35 169.94 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 122.791 2.328 . . . . 1.0 112.029 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -113.0 148.94 34.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.591 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 69.4 p -95.18 138.83 32.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.525 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -68.27 -31.4 70.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.598 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -60.22 -46.72 88.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.482 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -70.53 -29.7 66.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.465 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 31.7 tp -61.2 -31.9 71.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.428 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -70.68 -53.7 14.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.335 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 59.4 t -42.6 -47.84 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.145 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . 0.537 HG11 ' CD2' ' A' ' 46' ' ' LEU . 27.1 m -75.41 -35.49 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.192 -179.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.551 ' OE1' ' NH1' ' A' ' 101' ' ' ARG . 51.0 tp60 -46.74 -39.03 10.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.076 178.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 186' ' ' LEU . 11.0 mp -72.83 -34.7 67.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.073 177.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 184' ' ' VAL . 25.7 tp -55.99 -34.52 65.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.123 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . 0.413 ' HB2' HG11 ' A' ' 154' ' ' VAL . . . -75.78 -36.92 59.65 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.0 -0.545 . . . . 1.0 110.098 178.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -54.92 -39.89 69.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.146 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -53.57 -51.4 63.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.163 178.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 84.4 t -54.24 -42.57 57.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.009 -0.542 . . . . 1.0 110.189 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 4.8 t -49.5 -36.37 22.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.093 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . 0.471 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -80.7 -31.66 12.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.165 178.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -69.77 -47.43 62.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.303 -178.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 2.2 pp -65.52 -33.51 64.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.238 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.482 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.77 -55.51 5.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.356 178.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -57.18 -25.61 59.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.342 178.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -75.01 -35.77 61.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.455 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -53.54 -39.47 64.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.417 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 42.9 tp -56.26 -63.64 1.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.499 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 85.6 p -62.47 -46.88 86.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.504 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 14.2 tp . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.029 -0.986 . . . . 1.0 110.491 179.774 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 301' ' ' CYC . . . . . 0.641 HBB1 ' HB2' ' A' ' 54' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.561 HD21 ' CZ ' ' A' ' 55' ' ' ARG . 15.2 tp . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.827 0.346 . . . . 1.0 110.553 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -67.43 -31.75 72.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.555 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -76.85 -53.57 7.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.556 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.685 ' O ' HG23 ' A' ' 38' ' ' THR . 4.3 tp -59.58 -30.18 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.577 -178.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.665 ' CD1' HH22 ' A' ' 55' ' ' ARG . 76.6 mt -76.42 -26.01 55.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.617 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.589 ' O ' HG12 ' A' ' 39' ' ' VAL . 38.6 ttp180 -61.83 -37.02 82.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.559 179.097 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.81 -26.09 37.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.605 -179.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.685 HG23 ' O ' ' A' ' 34' ' ' ILE . 72.3 p -68.97 -47.14 66.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.623 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.589 HG12 ' O ' ' A' ' 36' ' ' ARG . 3.8 p -55.16 -38.78 48.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.656 179.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.455 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 97.5 mt-10 -75.39 -40.06 58.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.574 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 58.5 mm-40 -64.7 -51.16 63.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.513 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 88.2 t -61.52 -53.61 46.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.529 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' A' ' 47' ' ' GLY . 2.2 tmm_? -47.39 -39.35 15.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.59 179.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.98 -36.64 77.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.577 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -76.71 -47.66 21.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.6 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.612 ' N ' HD12 ' A' ' 46' ' ' LEU . 9.5 mp -77.82 -2.53 36.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.533 177.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.83 19.56 0.02 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 178.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.642 ' HG1' ' CE1' ' A' ' 170' ' ' HIS . 1.5 m -72.39 138.33 47.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.807 0.337 . . . . 1.0 110.595 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.646 ' CB ' ' HE ' ' A' ' 73' ' ' ARG . 77.3 m-20 -54.6 -40.39 68.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.642 -177.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.502 ' H ' HG22 ' A' ' 48' ' ' THR . 49.7 ttp180 -139.09 126.81 21.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.012 0.434 . . . . 1.0 110.971 -176.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.466 ' O ' ' CG2' ' A' ' 39' ' ' VAL . 4.8 t -142.47 133.8 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.812 -0.631 . . . . 1.0 109.85 176.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 46.9 pttt -144.0 159.77 42.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.092 0.473 . . . . 1.0 111.178 -178.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.624 HG12 ' HB3' ' A' ' 66' ' ' ALA . 9.4 p -110.25 139.49 33.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.669 -0.696 . . . . 1.0 109.856 178.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.533 ' HB2' HBB1 ' A' ' 301' ' ' CYC . 11.2 t80 -123.79 123.26 40.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.916 0.389 . . . . 1.0 111.184 -177.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.665 HH22 ' CD1' ' A' ' 35' ' ' LEU . 30.9 ttm-85 -95.14 163.67 13.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.927 -0.579 . . . . 1.0 109.932 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.415 ' H ' ' HG2' ' A' ' 55' ' ' ARG . 83.2 t80 -129.74 145.68 51.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.943 0.401 . . . . 1.0 110.822 -178.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' A' ' 61' ' ' HIS . 18.3 t70 -117.26 135.37 23.13 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.971 -0.558 . . . . 1.0 110.291 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -45.1 -28.33 3.28 Favored 'Trans proline' 0 C--N 1.305 -1.756 0 C-N-CA 122.711 2.274 . . . . 1.0 112.072 179.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -74.27 -5.61 43.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.436 -178.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.41 17.11 43.71 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.789 -0.924 . . . . 1.0 110.789 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.487 ' O ' ' N ' ' A' ' 57' ' ' ASP . 95.6 m-70 -117.25 143.78 45.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.863 0.363 . . . . 1.0 110.693 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.44 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -138.46 160.98 25.67 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.595 -1.002 . . . . 1.0 110.595 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 75.0 p -139.71 159.43 42.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.82 0.343 . . . . 1.0 110.733 -178.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.3 t -99.45 115.81 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.207 176.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.42 HG21 ' NH2' ' A' ' 55' ' ' ARG . 23.5 m -101.94 3.92 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.898 -177.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.624 ' HB3' HG12 ' A' ' 53' ' ' VAL . . . -162.83 149.39 12.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.387 . . . . 1.0 110.869 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.512 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 88.0 tt0 -167.34 128.92 1.58 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.268 -178.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.466 ' O ' ' HA ' ' A' ' 50' ' ' ARG . . . -118.22 150.14 39.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.815 176.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.5 ptt-85 -137.06 142.64 42.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.508 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.473 ' C ' ' H ' ' A' ' 72' ' ' GLU . . . -96.12 -108.34 2.39 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -64.33 2.22 2.44 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.774 -0.93 . . . . 1.0 110.774 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.473 ' H ' ' C ' ' A' ' 70' ' ' GLY . 68.2 tt0 63.3 55.18 1.89 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.745 0.307 . . . . 1.0 110.571 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.646 ' HE ' ' CB ' ' A' ' 49' ' ' ASP . 7.5 ptp180 -84.81 -16.56 41.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.527 177.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.477 HD21 ' O ' ' A' ' 146' ' ' MET . 10.7 mt -136.49 128.8 17.32 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.513 179.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -49.29 172.41 0.06 OUTLIER 'Trans proline' 0 C--N 1.304 -1.792 0 C-N-CA 122.801 2.334 . . . . 1.0 112.07 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.8 p -88.85 122.66 32.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.743 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 41.0 mt -96.38 -7.66 34.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.459 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.512 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 6.0 tp -45.74 135.1 7.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.517 -178.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.52 -0.29 74.06 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.856 -0.897 . . . . 1.0 110.856 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 27.9 tp -93.83 128.86 40.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.847 0.356 . . . . 1.0 110.53 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.488 ' O ' HG23 ' A' ' 81' ' ' THR . 10.1 t -95.45 125.95 40.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.652 178.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -95.84 144.67 28.21 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.497 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -81.41 132.89 8.24 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.896 2.397 . . . . 1.0 112.14 178.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -46.49 -35.07 5.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.648 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.95 -24.36 6.3 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.969 -0.852 . . . . 1.0 110.969 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.648 ' OD2' HMB3 ' A' ' 301' ' ' CYC . 53.6 t0 -48.82 -25.77 2.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.785 0.326 . . . . 1.0 110.584 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 3.0 pt -130.52 136.05 28.35 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.583 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.656 ' CD ' HAD1 ' A' ' 301' ' ' CYC . 72.3 Cg_endo -74.52 -107.77 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.869 2.379 . . . . 1.0 112.102 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.507 ' O ' ' NH1' ' A' ' 93' ' ' ARG . 23.1 pt-20 -166.68 -29.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.535 179.437 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 91' ' ' ALA . 11.4 pt-20 -73.14 -45.25 57.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.571 -179.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.474 ' N ' ' CG ' ' A' ' 90' ' ' GLU . . . -59.24 -31.81 69.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.549 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.473 HH21 HD22 ' A' ' 162' ' ' LEU . 65.4 mtp180 -70.43 -22.88 62.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.527 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.528 ' O ' ' N ' ' A' ' 97' ' ' LEU . 72.6 mmt-85 -56.24 -59.81 4.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.506 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.436 ' CD1' ' CZ ' ' A' ' 133' ' ' ARG . 15.4 mt -54.69 -36.54 64.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.548 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.58 ' C ' HH12 ' A' ' 101' ' ' ARG . 8.9 m-85 -65.9 -52.27 51.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.702 179.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -76.17 -18.04 59.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.674 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 93' ' ' ARG . 25.1 tp -91.07 -46.89 7.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.28 -178.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -103.78 -39.73 6.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.943 -0.571 . . . . 1.0 110.361 -176.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.435 ' CG ' ' O ' ' A' ' 95' ' ' PHE . 94.8 mt-30 63.91 68.76 0.56 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.308 177.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.615 ' C ' ' HG2' ' A' ' 101' ' ' ARG . 15.4 m -107.49 -42.48 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.819 176.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.615 ' HG2' ' C ' ' A' ' 100' ' ' VAL . 0.1 OUTLIER 62.34 55.67 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.328 175.149 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.592 ' C ' HD12 ' A' ' 103' ' ' ILE . 69.2 t -148.61 125.46 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.615 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.592 HD12 ' C ' ' A' ' 102' ' ' VAL . 1.7 mp -109.49 137.05 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.739 176.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.665 HG22 ' N ' ' A' ' 105' ' ' ASP . 12.8 p -79.52 168.97 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.302 -178.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.665 ' N ' HG22 ' A' ' 104' ' ' VAL . 3.5 m-20 -48.41 124.05 7.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.4 -178.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.2 m -63.61 -14.01 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.535 179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.412 ' C ' ' H ' ' A' ' 109' ' ' GLN . 2.8 pt-20 -79.89 -30.98 40.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.321 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.45 -7.92 0.71 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.319 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.412 ' H ' ' C ' ' A' ' 107' ' ' GLU . 90.3 mt-30 48.08 59.35 4.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.718 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.83 138.98 30.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.363 175.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -122.26 133.07 54.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.78 -176.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.521 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 1.2 t -143.36 118.09 9.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.185 177.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.589 HG22 ' H ' ' A' ' 114' ' ' SER . 0.8 OUTLIER -121.47 -164.7 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.804 -179.574 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.589 ' H ' HG22 ' A' ' 113' ' ' ILE . 9.2 t -75.65 171.59 14.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.703 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -148.27 152.14 38.55 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.516 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -36.52 145.83 0.08 OUTLIER 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.788 2.325 . . . . 1.0 112.211 179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 46.37 91.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.586 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 87.6 p -61.57 -26.91 68.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.678 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 73.9 t-105 -86.06 130.89 34.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.595 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 169.95 -172.16 43.69 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.873 -0.891 . . . . 1.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 21.5 mt 53.41 17.65 1.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.728 0.299 . . . . 1.0 110.568 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 83.4 p -63.37 -23.26 67.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.563 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.6 -19.26 63.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.611 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 63.91 55.7 1.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.526 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 24.8 m -67.34 137.27 93.73 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.551 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -74.32 138.48 24.88 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.79 2.327 . . . . 1.0 112.059 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 27.1 mt 40.13 -144.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.658 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 86.05 11.94 72.06 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -120.14 155.43 55.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.901 0.381 . . . . 1.0 110.614 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_endo -61.78 162.25 22.45 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.874 2.383 . . . . 1.0 112.11 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.5 tp -70.66 -4.28 22.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.492 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . 0.599 ' NE2' HG23 ' A' ' 104' ' ' VAL . 98.4 mt-30 -132.16 170.08 15.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.459 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.436 ' CZ ' ' CD1' ' A' ' 94' ' ' LEU . 6.3 mmm180 -135.29 92.49 17.77 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.713 -179.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -51.21 145.36 26.85 Favored 'Trans proline' 0 C--N 1.304 -1.774 0 C-N-CA 122.778 2.319 . . . . 1.0 112.003 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.836 HG21 ' ND1' ' A' ' 139' ' ' HIS . 34.5 m -126.48 135.48 63.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.581 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.663 ' OD1' HBD1 ' A' ' 301' ' ' CYC . 0.0 OUTLIER -41.86 156.65 0.22 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.467 179.503 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -57.07 -47.02 24.86 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.82 2.346 . . . . 1.0 111.897 -178.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.554 ' SG ' HMD2 ' A' ' 301' ' ' CYC . 0.4 OUTLIER -49.8 -25.46 3.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.351 179.61 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.836 ' ND1' HG21 ' A' ' 135' ' ' VAL . 42.5 t-80 -87.83 -42.94 12.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.254 176.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 59.3 t -49.93 -49.32 21.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.075 -0.512 . . . . 1.0 110.557 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 84.3 t60 -65.72 -39.63 91.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.461 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -46.15 -49.61 16.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.405 178.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 96.0 mt -68.91 -48.42 63.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.418 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -57.13 -41.62 79.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.492 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 28.1 t -53.17 -27.5 21.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.521 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.477 ' O ' HD21 ' A' ' 74' ' ' LEU . 46.1 mtt -88.99 2.94 53.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.455 178.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 67.87 22.11 73.66 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 150' ' ' SER . 4.4 t -107.1 118.32 54.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.783 0.325 . . . . 1.0 110.708 179.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -79.96 -34.29 38.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.251 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.581 ' O ' HG12 ' A' ' 148' ' ' VAL . 30.7 t -108.8 143.44 37.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.074 -178.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 12.5 p -138.48 106.15 5.61 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.696 -0.402 . . . . 1.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 56.4 tp -98.45 126.26 43.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.99 -0.55 . . . . 1.0 109.973 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.722 HG23 HG22 ' A' ' 167' ' ' VAL . 10.6 p -120.99 147.15 25.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.058 0.456 . . . . 1.0 111.19 -179.163 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.419 ' CG2' ' C ' ' A' ' 153' ' ' VAL . 2.2 t -151.55 75.03 7.92 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 115.736 -0.665 . . . . 1.0 110.024 -177.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . 0.623 ' HD3' HG22 ' A' ' 153' ' ' VAL . 50.7 Cg_exo -49.56 154.62 4.24 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.948 2.432 . . . . 1.0 112.696 -177.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 58.0 mt -117.53 100.25 7.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.183 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 16.2 ptm -114.31 135.88 53.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.751 -178.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . 0.623 ' ND1' ' NE2' ' A' ' 159' ' ' HIS . 3.5 t-80 -116.76 124.66 50.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.397 177.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.623 ' NE2' ' ND1' ' A' ' 158' ' ' HIS . 63.2 m-70 70.55 -110.73 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.443 -178.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 -121.34 0.41 10.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.41 -178.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -116.61 165.22 13.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.541 -177.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.473 HD22 HH21 ' A' ' 92' ' ' ARG . 4.0 mp -105.08 121.53 43.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.478 178.072 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . 0.437 ' CE3' ' OE2' ' A' ' 199' ' ' GLU . 79.1 m95 -103.28 -41.5 6.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.901 -177.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -138.31 -178.81 16.51 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.241 -0.744 . . . . 1.0 111.241 -178.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.2 tp -149.18 126.11 11.23 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.703 0.287 . . . . 1.0 110.441 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.412 ' HB3' ' O ' ' A' ' 154' ' ' VAL . 12.1 tp -105.93 142.99 34.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.597 177.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.722 HG22 HG23 ' A' ' 153' ' ' VAL . 71.0 t -152.46 146.43 15.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.78 -177.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.685 ' C ' ' HD1' ' A' ' 169' ' ' HIS . 1.1 m -128.46 138.58 52.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.354 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . 0.685 ' HD1' ' C ' ' A' ' 168' ' ' SER . 0.3 OUTLIER -133.89 140.07 46.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.341 -0.391 . . . . 1.0 110.762 -179.252 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . 0.642 ' CE1' ' HG1' ' A' ' 48' ' ' THR . 1.1 p-80 -173.7 172.74 3.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.487 -178.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.531 ' O ' ' O ' ' A' ' 170' ' ' HIS . . . -51.85 -160.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.56 178.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . 0.564 ' OE1' ' N ' ' A' ' 172' ' ' GLU . 0.0 OUTLIER -114.48 82.32 7.61 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.568 179.315 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . 0.449 ' O ' ' O ' ' A' ' 174' ' ' ARG . 94.1 Cg_endo -84.52 73.78 4.42 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.834 2.356 . . . . 1.0 112.069 178.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.449 ' O ' ' O ' ' A' ' 173' ' ' PRO . 57.9 mtt85 56.87 154.63 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.446 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -48.45 170.02 0.07 OUTLIER 'Trans proline' 0 C--N 1.306 -1.676 0 C-N-CA 122.795 2.33 . . . . 1.0 112.045 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . 0.432 ' HE1' ' HG ' ' A' ' 150' ' ' SER . 0.1 OUTLIER -109.27 143.92 38.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.592 179.457 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 33.1 t -92.1 136.08 33.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.58 -179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -66.75 -38.38 86.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.546 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -60.33 -53.25 59.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.492 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -65.1 -31.51 72.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.46 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 26.5 tp -60.56 -41.26 94.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.384 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -57.99 -53.13 61.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.314 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 57.8 t -43.9 -46.67 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.156 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . 0.417 HG13 HD11 ' A' ' 46' ' ' LEU . 77.3 t -74.19 -38.66 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.21 179.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -47.03 -38.77 11.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.051 178.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 57.9 mt -73.72 -32.99 64.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.027 178.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 187' ' ' LEU . 24.3 tp -56.38 -32.62 64.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.116 179.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . 0.405 ' HB2' HG11 ' A' ' 154' ' ' VAL . . . -74.6 -39.58 62.1 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.049 178.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -56.37 -41.54 76.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.182 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . 0.469 ' O ' HG22 ' A' ' 193' ' ' ILE . 0.7 OUTLIER -53.33 -55.1 27.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.121 178.865 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 194' ' ' ALA . 97.2 t -53.51 -41.8 46.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.092 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 3.8 p -47.83 -30.31 3.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.114 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . 0.469 HG22 ' O ' ' A' ' 190' ' ' GLN . 1.1 tp -80.65 -32.56 13.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.172 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 191' ' ' VAL . . . -71.14 -46.13 62.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.299 -179.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 16.7 tt -65.18 -33.15 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.26 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.484 ' HB2' ' CD2' ' A' ' 158' ' ' HIS . . . -75.83 -56.23 4.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.326 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -57.63 -24.71 57.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.363 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -73.96 -37.58 64.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.414 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . 0.437 ' OE2' ' CE3' ' A' ' 163' ' ' TRP . 91.0 mt-10 -53.46 -39.13 64.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.414 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . 0.617 ' N ' HD12 ' A' ' 200' ' ' LEU . 9.7 mp -56.97 -64.41 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.544 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 22.9 t -73.26 -63.87 1.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.436 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 31' ' ' LEU . 19.3 mt . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.934 -1.031 . . . . 1.0 110.532 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 301' ' ' CYC . . . . . 0.663 HBD1 ' OD1' ' A' ' 136' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.473 HD11 HD12 ' A' ' 195' ' ' ILE . 7.8 tp . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.839 0.352 . . . . 1.0 110.645 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.0 p-10 -70.45 -31.77 69.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.597 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -79.12 -47.12 16.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.511 -178.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 6.9 tp -66.98 -27.94 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.55 -178.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.61 ' O ' HG22 ' A' ' 38' ' ' THR . 82.3 mt -80.02 -22.97 41.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.623 -179.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -75.53 -35.13 60.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.538 178.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.48 -32.71 32.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.631 -177.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 35' ' ' LEU . 5.4 t -64.47 -45.04 89.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.624 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.55 ' N ' HG23 ' A' ' 38' ' ' THR . 53.9 t -58.57 -39.15 74.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.666 178.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.81 -38.22 76.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.588 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -62.59 -45.15 94.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.463 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.6 t -64.73 -40.31 88.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.525 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.567 ' O ' ' N ' ' A' ' 47' ' ' GLY . 61.9 ttp85 -51.77 -47.61 64.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.515 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.11 -36.03 76.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.513 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -79.03 -52.82 7.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.531 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 48' ' ' THR . 1.1 tp -78.93 -4.19 48.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.597 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.567 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 42.65 21.01 0.08 OUTLIER Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 177.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.557 ' OG1' ' ND1' ' A' ' 170' ' ' HIS . 6.8 t -74.39 137.38 42.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.783 0.325 . . . . 1.0 110.626 179.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 50' ' ' ARG . 16.9 p30 -72.03 -14.91 62.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.564 -176.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.533 ' NH2' ' O ' ' A' ' 75' ' ' PRO . 14.7 ttt180 -151.77 118.05 5.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.977 0.417 . . . . 1.0 111.049 -178.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.5 ' HB ' HG21 ' A' ' 48' ' ' THR . 2.3 p -153.64 137.37 8.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.913 -0.585 . . . . 1.0 109.905 176.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.46 ' HE2' HAB2 ' A' ' 301' ' ' CYC . 11.7 pttm -147.26 160.39 42.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.003 0.43 . . . . 1.0 111.299 -178.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.454 HG12 ' HB3' ' A' ' 66' ' ' ALA . 5.1 p -97.43 138.68 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.741 -0.663 . . . . 1.0 109.882 178.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.428 ' O ' ' N ' ' A' ' 165' ' ' LEU . 30.5 t80 -121.03 118.78 30.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.91 0.386 . . . . 1.0 111.264 -177.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -95.83 162.03 13.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.961 -0.563 . . . . 1.0 109.885 178.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.525 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 89.4 t80 -128.85 145.61 51.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.902 0.382 . . . . 1.0 110.892 -178.136 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.525 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 24.3 m-20 -115.45 148.25 40.51 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 115.919 -0.582 . . . . 1.0 110.256 179.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -60.52 -21.83 69.85 Favored 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.673 2.249 . . . . 1.0 112.056 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -80.34 -6.16 57.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.447 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.36 22.19 27.61 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.765 -0.934 . . . . 1.0 110.765 179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -116.48 138.62 51.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.898 0.38 . . . . 1.0 110.719 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -128.83 149.83 18.55 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.592 -1.003 . . . . 1.0 110.592 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.7 p -133.61 154.42 50.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.851 0.358 . . . . 1.0 110.716 -178.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.8 t -98.73 114.63 36.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.223 175.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.677 HG22 ' O ' ' A' ' 65' ' ' VAL . 5.8 p -104.85 1.59 10.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.827 -175.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.454 ' HB3' HG12 ' A' ' 53' ' ' VAL . . . -160.37 147.36 15.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.378 . . . . 1.0 110.919 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.469 ' OE2' ' O ' ' A' ' 68' ' ' ALA . 7.8 tp10 -166.68 127.25 1.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.943 -0.572 . . . . 1.0 110.272 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.469 ' O ' ' OE2' ' A' ' 67' ' ' GLU . . . -131.48 150.24 52.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.82 178.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.533 ' NH2' ' O ' ' A' ' 71' ' ' GLY . 2.9 ptm180 -147.51 153.51 39.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.401 -179.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -99.75 -49.08 1.55 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.834 -0.906 . . . . 1.0 110.834 179.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.533 ' O ' ' NH2' ' A' ' 69' ' ' ARG . . . -98.25 -138.65 10.34 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.748 -0.941 . . . . 1.0 110.748 178.387 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.553 ' N ' ' OE1' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -166.22 58.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.807 0.337 . . . . 1.0 110.542 178.867 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.543 ' NH1' ' HB2' ' A' ' 171' ' ' ALA . 16.4 ptp180 -89.0 -15.75 33.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.516 177.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.4 mt -134.4 163.26 52.43 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.506 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.533 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 6.3 Cg_exo -80.22 173.13 12.9 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.726 2.284 . . . . 1.0 112.06 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.6 p -91.24 133.92 35.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.684 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.527 ' CD1' ' NH2' ' A' ' 50' ' ' ARG . 15.3 mt -107.55 -6.55 16.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.477 -178.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 40.3 tp -48.74 136.92 12.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.498 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 88.37 -0.62 83.57 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.3 tp -97.28 131.63 43.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 1.0 110.511 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.74 125.08 38.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.654 178.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -96.12 142.4 24.52 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.516 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -78.94 138.55 14.72 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.78 2.32 . . . . 1.0 112.203 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.61 -32.98 63.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.633 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.98 -23.74 3.91 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.984 -0.846 . . . . 1.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -48.8 -20.56 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.778 0.323 . . . . 1.0 110.543 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.401 HG21 HD13 ' A' ' 87' ' ' ILE . 29.4 pt -144.59 144.74 25.93 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.527 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_endo -78.85 -97.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.91 2.406 . . . . 1.0 112.105 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.415 ' CG ' ' N ' ' A' ' 90' ' ' GLU . 21.7 pt-20 -170.94 -41.64 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.595 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.415 ' N ' ' CG ' ' A' ' 89' ' ' GLU . 21.8 pt-20 -54.45 -40.36 68.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.577 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.4 ' N ' ' CG ' ' A' ' 90' ' ' GLU . . . -63.59 -34.71 78.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.51 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 73.8 mtp180 -68.21 -23.02 64.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.529 -179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 97' ' ' LEU . 29.4 mmt180 -57.85 -56.35 23.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.526 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.58 ' O ' ' N ' ' A' ' 98' ' ' ALA . 32.9 mt -53.11 -36.48 60.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.502 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -67.56 -36.32 80.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.724 178.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -86.54 -22.03 26.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.693 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 123' ' ' ALA . 9.9 mp -103.92 -47.95 4.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.248 -177.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.58 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -95.02 -17.16 22.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.508 -176.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.501 ' C ' ' O ' ' A' ' 98' ' ' ALA . 91.4 mt-30 33.06 62.93 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.391 178.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.615 HG13 ' N ' ' A' ' 101' ' ' ARG . 12.4 p -117.46 -46.63 3.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.812 177.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.615 ' N ' HG13 ' A' ' 100' ' ' VAL . 0.0 OUTLIER 51.83 69.88 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.249 174.021 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.653 ' C ' HD12 ' A' ' 103' ' ' ILE . 11.6 p -143.79 124.89 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.584 179.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.653 HD12 ' C ' ' A' ' 102' ' ' VAL . 1.8 mp -109.16 131.34 60.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.694 179.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.463 HG22 ' H ' ' A' ' 104' ' ' VAL . 4.5 m -82.98 171.02 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.277 -178.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -50.9 121.07 5.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.462 -178.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.5 m -59.0 -9.86 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.534 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -79.68 -33.46 41.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.359 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.05 -9.91 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.358 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 47.23 58.39 4.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.717 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 p -87.7 139.9 30.07 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.419 175.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 43.2 ptt85 -123.04 132.93 54.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.798 -177.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.438 ' O ' ' OD2' ' A' ' 136' ' ' ASP . 0.1 OUTLIER -145.67 118.86 8.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.234 178.158 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 33.5 pt -120.42 -165.74 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.798 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 35.3 t -77.33 174.31 10.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.676 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.485 ' NE2' ' O ' ' A' ' 117' ' ' GLU . 0.0 OUTLIER -143.16 153.75 60.33 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.445 -179.86 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.96 -48.52 0.28 Allowed 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.858 2.372 . . . . 1.0 112.198 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.485 ' O ' ' NE2' ' A' ' 115' ' ' GLN . 95.4 mt-10 -98.62 154.3 18.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.607 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.0 t -68.69 159.8 31.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.591 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 63.9 t-105 -52.84 -35.91 58.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.564 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -163.19 -171.28 29.25 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.879 -0.888 . . . . 1.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 45.4 tp -54.78 -37.68 66.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.858 0.361 . . . . 1.0 110.558 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 49.3 m -117.11 141.5 48.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.507 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.44 ' O ' HD23 ' A' ' 97' ' ' LEU . . . -69.87 -30.78 68.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.468 . . . . 1.0 110.569 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 -103.07 83.53 2.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.573 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 4.5 t -101.64 109.77 60.16 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.5 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 127' ' ' LEU . 84.7 Cg_exo -45.74 134.93 13.57 Favored 'Trans proline' 0 C--N 1.306 -1.7 0 C-N-CA 122.785 2.323 . . . . 1.0 112.1 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 126' ' ' PRO . 22.2 mt 35.35 -152.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.554 -179.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 71.99 28.45 68.57 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.919 -0.872 . . . . 1.0 110.919 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -115.9 150.15 44.48 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 120.933 0.397 . . . . 1.0 110.534 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -48.42 162.8 0.3 Allowed 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.897 2.398 . . . . 1.0 112.138 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 35.6 mt -84.22 3.17 36.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.449 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -147.74 164.3 34.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.499 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.485 ' CD ' HD13 ' A' ' 94' ' ' LEU . 14.9 mmt-85 -122.18 85.37 46.6 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.671 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -54.63 143.99 66.27 Favored 'Trans proline' 0 C--N 1.305 -1.748 0 C-N-CA 122.789 2.326 . . . . 1.0 111.923 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.802 HG21 ' ND1' ' A' ' 139' ' ' HIS . 31.2 m -122.69 130.02 74.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.575 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.67 ' OD1' ' N ' ' A' ' 136' ' ' ASP . 0.0 OUTLIER -42.84 174.19 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.42 179.612 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.432 ' O ' ' N ' ' A' ' 140' ' ' VAL . 13.6 Cg_exo -67.56 -48.91 1.35 Allowed 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.863 2.375 . . . . 1.0 111.924 -178.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.742 ' SG ' ' HHD' ' A' ' 301' ' ' CYC . 0.1 OUTLIER -47.57 -23.16 0.59 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.35 179.503 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.802 ' ND1' HG21 ' A' ' 135' ' ' VAL . 29.5 t-80 -88.41 -38.52 15.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.291 176.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.432 ' N ' ' O ' ' A' ' 137' ' ' PRO . 68.7 t -50.43 -47.84 26.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.546 178.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -67.98 -42.35 80.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.494 178.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . 0.426 ' O ' ' OG ' ' A' ' 145' ' ' SER . 61.7 t80 -45.77 -54.74 7.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.494 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 51.4 mt -68.11 -50.95 51.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.388 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 41.1 tptt -55.1 -39.88 69.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.469 -179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 142' ' ' TYR . 59.1 p -54.91 -25.6 30.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.462 179.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 52.0 mtt -91.88 -0.35 57.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.423 178.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 67.96 22.18 73.87 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 148' ' ' VAL . 3.6 m -109.49 119.32 58.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.775 0.321 . . . . 1.0 110.676 179.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -88.47 -21.46 24.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.241 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.405 ' CB ' ' OH ' ' A' ' 176' ' ' TYR . 2.2 t -111.18 140.87 45.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.136 -179.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.4 t -145.79 118.05 8.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.92 0.39 . . . . 1.0 111.143 179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 17.0 tp -115.27 135.69 53.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.006 -0.543 . . . . 1.0 109.995 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -129.48 155.55 41.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.12 0.486 . . . . 1.0 111.193 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.636 ' CG1' HD23 ' A' ' 166' ' ' LEU . 4.8 p -160.65 83.89 2.0 Allowed Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 115.633 -0.712 . . . . 1.0 109.936 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -50.83 156.26 4.83 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.922 2.415 . . . . 1.0 112.739 -176.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 28.7 mt -116.35 95.88 5.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.175 178.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 15.4 ptm -110.29 136.94 48.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.763 -177.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . 0.506 ' O ' ' HB3' ' A' ' 159' ' ' HIS . 20.0 t60 -120.43 122.84 41.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.341 177.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.506 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 64.9 t60 77.63 -115.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.417 -177.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -121.0 1.81 10.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.376 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -117.03 166.18 12.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.621 -177.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 13.0 mt -105.66 123.75 48.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.479 178.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . 0.4 ' NE1' ' HB3' ' A' ' 158' ' ' HIS . 82.5 m95 -102.18 -35.57 8.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.906 -177.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -147.92 177.69 26.01 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.25 -0.74 . . . . 1.0 111.25 -178.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 54' ' ' TYR . 2.3 tp -143.92 130.41 20.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.689 0.28 . . . . 1.0 110.448 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.636 HD23 ' CG1' ' A' ' 154' ' ' VAL . 21.3 tp -104.68 143.56 32.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.547 179.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 7.7 p -151.64 139.54 14.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.644 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 42.4 m -125.35 146.88 49.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.381 178.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . 0.519 ' ND1' ' O ' ' A' ' 50' ' ' ARG . 0.0 OUTLIER -143.21 138.5 29.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.745 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . 0.557 ' ND1' ' OG1' ' A' ' 48' ' ' THR . 1.0 OUTLIER -172.13 170.25 5.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.489 -178.737 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.543 ' HB2' ' NH1' ' A' ' 73' ' ' ARG . . . -55.18 -174.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.601 178.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 67.9 tt0 -118.12 81.15 16.06 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.567 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -85.13 -37.14 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.895 2.396 . . . . 1.0 112.07 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -160.61 154.03 18.58 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.483 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -66.06 176.93 3.38 Favored 'Trans proline' 0 C--N 1.305 -1.712 0 C-N-CA 122.761 2.307 . . . . 1.0 112.057 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . 0.405 ' OH ' ' CB ' ' A' ' 150' ' ' SER . 0.1 OUTLIER -113.28 135.01 54.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.608 -179.811 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 50.5 m -89.12 139.06 30.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.568 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -65.98 -39.43 90.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.49 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . 0.513 ' CD ' ' H ' ' A' ' 179' ' ' GLU . 47.7 mp0 -62.91 -53.54 52.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.466 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -64.34 -33.18 75.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.384 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 26.0 tp -58.85 -42.04 88.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.372 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -56.2 -50.97 69.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.293 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 61.8 t -43.06 -46.31 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.172 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 187' ' ' LEU . 60.1 t -74.28 -38.59 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.162 179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -47.33 -38.01 12.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.063 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 52.7 mt -73.86 -34.68 64.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.014 -0.539 . . . . 1.0 110.075 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 184' ' ' VAL . 26.3 tp -55.97 -32.56 63.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.126 178.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -73.49 -36.91 65.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.119 178.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -56.1 -39.55 72.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.123 178.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -53.95 -54.28 41.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.167 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 92.7 t -54.81 -42.35 61.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.026 -0.533 . . . . 1.0 110.162 178.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 2.5 m -49.77 -30.6 9.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.068 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 65.2 mt -81.46 -34.56 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.081 178.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -69.59 -45.53 68.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.23 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . 0.473 HD12 HD11 ' A' ' 31' ' ' LEU . 3.2 tp -64.6 -33.76 65.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.266 179.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.474 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -76.14 -56.1 4.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.339 179.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -58.91 -26.61 64.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.374 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -75.18 -36.98 61.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.463 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -54.47 -39.1 67.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.401 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 40.2 mt -61.63 -58.6 7.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.462 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 22.2 t -61.68 -47.5 85.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.5 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 11.3 tp . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.018 -0.992 . . . . 1.0 110.549 179.937 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 301' ' ' CYC . . . . . 0.742 ' HHD' ' SG ' ' A' ' 138' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.785 HD12 ' HB2' ' A' ' 198' ' ' ALA . 9.9 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.843 0.354 . . . . 1.0 110.57 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -46.45 -30.6 2.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.644 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -77.12 -45.72 25.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.486 178.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.608 ' O ' HG23 ' A' ' 38' ' ' THR . 0.4 OUTLIER -67.31 -29.26 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.528 -179.753 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.486 ' O ' ' OG1' ' A' ' 38' ' ' THR . 95.4 mt -76.72 -25.08 53.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.653 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.518 ' NH1' ' OE2' ' A' ' 40' ' ' GLU . 0.6 OUTLIER -64.34 -32.43 74.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.523 177.546 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -81.86 -24.52 35.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.619 179.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 34' ' ' ILE . 73.6 p -71.49 -48.05 51.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.614 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' ' 36' ' ' ARG . 5.3 p -57.05 -38.18 58.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.61 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.518 ' OE2' ' NH1' ' A' ' 36' ' ' ARG . 98.0 mt-10 -70.02 -39.02 76.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.582 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -64.86 -44.77 88.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.481 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 70.2 t -60.27 -53.21 51.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.483 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' A' ' 47' ' ' GLY . 6.3 tmm_? -51.1 -44.83 61.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.587 179.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.16 -40.96 95.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.556 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -71.65 -52.95 15.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.525 -179.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.559 ' O ' ' N ' ' A' ' 48' ' ' THR . 77.2 mt -78.85 -2.03 37.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.567 179.168 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.54 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 41.01 20.67 0.04 OUTLIER Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 178.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.559 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.3 m -71.84 138.57 48.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 1.0 110.562 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.53 ' O ' ' HA ' ' A' ' 69' ' ' ARG . 93.3 m-20 -49.42 -43.27 44.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.574 -177.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.853 HH21 ' H ' ' A' ' 77' ' ' LEU . 72.5 ttt-85 -145.51 130.97 18.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.947 0.404 . . . . 1.0 111.036 -176.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.8 p -145.09 139.27 22.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.851 -0.613 . . . . 1.0 109.878 177.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.656 ' CE ' HH12 ' A' ' 50' ' ' ARG . 19.3 pttp -145.9 159.62 42.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.021 0.438 . . . . 1.0 111.317 -177.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 80.0 t -98.25 137.1 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.734 -0.666 . . . . 1.0 109.855 177.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.72 ' HB2' HBB1 ' A' ' 301' ' ' CYC . 60.6 t80 -117.6 114.92 24.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.847 0.356 . . . . 1.0 111.197 -178.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -93.2 163.11 13.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.031 -0.531 . . . . 1.0 109.893 -179.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.536 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 81.3 t80 -132.27 147.4 52.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.938 0.399 . . . . 1.0 110.882 -178.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.577 ' N ' ' O ' ' A' ' 61' ' ' HIS . 15.5 m-20 -116.21 148.21 41.07 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.91 -0.587 . . . . 1.0 110.264 179.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.98 -28.74 88.69 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.756 2.304 . . . . 1.0 112.065 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -73.53 -7.19 50.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.389 -179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.43 23.81 13.58 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.792 -0.923 . . . . 1.0 110.792 179.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.577 ' O ' ' N ' ' A' ' 57' ' ' ASP . 78.5 m80 -119.6 141.11 49.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.859 0.361 . . . . 1.0 110.743 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -131.8 153.5 20.51 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.616 -0.994 . . . . 1.0 110.616 178.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 66.2 p -137.11 157.76 45.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.821 0.343 . . . . 1.0 110.747 -178.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 4.0 t -101.59 116.34 45.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.222 176.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 13.1 m -105.63 2.27 10.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.833 -175.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.441 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -156.71 147.44 21.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.902 0.382 . . . . 1.0 110.888 -179.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.571 ' OE2' ' N ' ' A' ' 68' ' ' ALA . 7.2 tp10 -165.39 123.69 1.62 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.976 -0.556 . . . . 1.0 110.323 179.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.571 ' N ' ' OE2' ' A' ' 67' ' ' GLU . . . -124.02 134.9 53.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.803 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.53 ' HA ' ' O ' ' A' ' 49' ' ' ASP . 0.0 OUTLIER -119.25 141.46 48.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.507 -179.841 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -92.87 -81.88 1.49 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.31 -2.73 87.52 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.766 -0.933 . . . . 1.0 110.766 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 68.7 tt0 63.29 54.02 2.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.78 0.324 . . . . 1.0 110.53 179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -80.06 -57.49 3.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.493 179.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 29.7 mt -90.14 147.42 36.99 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.45 178.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 29.8 Cg_endo -64.21 166.44 16.87 Favored 'Trans proline' 0 C--N 1.305 -1.733 0 C-N-CA 122.804 2.336 . . . . 1.0 112.056 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 27.7 t -84.73 133.49 34.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.66 -179.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.853 ' H ' HH21 ' A' ' 50' ' ' ARG . 34.4 mt -112.11 -17.05 12.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.467 -179.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.475 ' C ' ' O ' ' A' ' 77' ' ' LEU . 16.5 tp -34.32 138.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.545 -177.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.96 -0.03 69.0 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.4 mt -89.8 127.3 35.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.783 0.325 . . . . 1.0 110.514 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 4.2 p -102.59 131.14 49.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.649 177.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.474 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 13.0 m-85 -106.64 141.6 23.17 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.544 -178.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -77.44 152.07 29.81 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.817 2.345 . . . . 1.0 112.131 177.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -58.76 -34.54 71.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.64 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.81 -26.92 8.67 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.028 -0.829 . . . . 1.0 111.028 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -55.45 -25.61 37.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.77 0.319 . . . . 1.0 110.549 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 38.0 mt -126.17 130.97 23.82 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.594 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -76.59 -111.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.778 2.319 . . . . 1.0 112.169 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -154.49 -56.93 0.11 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.541 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.511 ' OE1' ' CZ2' ' A' ' 119' ' ' TRP . 22.4 pt-20 -49.72 -38.9 35.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.55 -179.232 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.427 ' O ' ' CD2' ' A' ' 95' ' ' PHE . . . -70.41 -52.31 23.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.558 179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -56.82 -26.51 58.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.531 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -67.15 -49.12 65.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.493 -177.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 98' ' ' ALA . 69.7 mt -47.07 -54.76 9.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.465 -177.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.566 ' CG ' ' CZ ' ' A' ' 101' ' ' ARG . 24.8 m-85 -56.43 -29.39 61.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.678 -178.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.534 ' C ' HD12 ' A' ' 97' ' ' LEU . 12.2 tpp180 -63.75 -27.31 69.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.711 175.034 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.556 HD12 ' N ' ' A' ' 97' ' ' LEU . 10.8 mp -106.19 -27.13 11.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.267 178.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -93.9 -32.57 13.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.906 -0.588 . . . . 1.0 110.452 -178.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.533 ' N ' ' O ' ' A' ' 95' ' ' PHE . 91.6 mt-30 36.13 65.34 0.45 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.386 179.215 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.508 HG13 ' N ' ' A' ' 101' ' ' ARG . 5.1 p -142.09 -42.07 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.829 178.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.566 ' CZ ' ' CG ' ' A' ' 95' ' ' PHE . 25.4 mmt180 52.62 90.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.28 176.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.569 ' C ' HD12 ' A' ' 103' ' ' ILE . 68.0 t -152.04 124.12 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.593 179.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.663 HD12 ' N ' ' A' ' 103' ' ' ILE . 1.8 mp -104.33 130.27 55.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.79 177.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.598 HG22 ' H ' ' A' ' 105' ' ' ASP . 9.6 p -84.3 169.7 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.341 -178.03 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.598 ' H ' HG22 ' A' ' 104' ' ' VAL . 5.6 m-20 -60.02 118.14 5.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.396 -0.365 . . . . 1.0 110.447 -178.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 106' ' ' VAL . 12.5 p -52.87 -12.15 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.58 179.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.724 ' C ' ' H ' ' A' ' 109' ' ' GLN . 4.0 pt-20 -93.63 -27.22 16.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.41 22.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.334 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.724 ' H ' ' C ' ' A' ' 107' ' ' GLU . 33.0 tp60 75.39 52.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.727 177.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 25.4 t -88.39 114.74 25.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.454 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -152.45 110.79 3.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.825 -179.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 40.8 t -136.98 113.48 10.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.2 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.838 HG22 ' H ' ' A' ' 114' ' ' SER . 5.0 mm -113.7 -176.05 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.795 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.838 ' H ' HG22 ' A' ' 113' ' ' ILE . 56.1 p -77.82 159.36 29.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.692 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -163.11 152.4 12.67 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.465 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.41 -20.23 24.27 Favored 'Trans proline' 0 C--N 1.304 -1.784 0 C-N-CA 122.858 2.372 . . . . 1.0 112.193 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -56.55 145.27 28.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.614 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 54.7 p -66.8 152.71 45.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.619 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.511 ' CZ2' ' OE1' ' A' ' 90' ' ' GLU . 63.2 m95 -68.14 -38.03 81.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.538 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 73.47 55.8 5.9 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.433 HD11 HD22 ' A' ' 97' ' ' LEU . 31.3 tp -86.63 128.52 35.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.798 0.332 . . . . 1.0 110.559 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 17.4 t -79.53 162.98 25.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.553 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.503 ' O ' ' HB2' ' A' ' 124' ' ' ARG . . . -58.5 -43.47 89.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.523 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.503 ' HB2' ' O ' ' A' ' 123' ' ' ALA . 50.8 ttm-85 170.22 93.52 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.527 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 15.8 t -119.28 130.85 24.62 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.541 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -74.05 126.26 10.43 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.772 2.314 . . . . 1.0 112.081 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.426 ' CG ' ' H ' ' A' ' 128' ' ' GLY . 6.6 tp 56.14 -124.32 1.93 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.656 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.426 ' H ' ' CG ' ' A' ' 127' ' ' LEU . . . 52.07 20.19 6.31 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.88 -0.888 . . . . 1.0 110.88 179.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -109.47 154.77 42.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.915 0.388 . . . . 1.0 110.564 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -46.32 142.43 9.11 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.852 2.368 . . . . 1.0 112.137 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.659 ' N ' HD12 ' A' ' 131' ' ' LEU . 8.7 mp -69.51 -27.38 65.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.431 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -131.66 129.7 41.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.453 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.545 ' CZ ' ' CD1' ' A' ' 94' ' ' LEU . 27.4 ttt85 -112.79 131.34 22.78 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.646 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.98 142.7 35.17 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.754 2.302 . . . . 1.0 112.013 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.623 ' O ' HG23 ' A' ' 135' ' ' VAL . 10.9 m -102.53 117.79 48.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.523 -179.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.653 ' CG ' HBD2 ' A' ' 301' ' ' CYC . 54.8 p-10 -49.94 150.31 4.11 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.425 179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -45.66 -13.04 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.728 0 C-N-CA 122.804 2.336 . . . . 1.0 111.905 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.499 ' O ' HAC2 ' A' ' 301' ' ' CYC . 0.1 OUTLIER -69.99 -49.08 55.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.375 179.716 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.679 ' NE2' HD13 ' A' ' 143' ' ' LEU . 0.1 OUTLIER -83.0 -19.76 36.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.242 -178.719 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 44.5 t -52.11 -63.13 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.571 178.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.524 ' O ' ' N ' ' A' ' 145' ' ' SER . 7.3 m80 -60.65 -40.83 93.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.39 178.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -49.55 -58.81 4.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.445 178.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.679 HD13 ' NE2' ' A' ' 139' ' ' HIS . 1.3 tp -66.82 -51.8 51.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.471 -179.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 147' ' ' GLY . 3.2 tmtt? -57.43 -41.68 80.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.452 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.524 ' N ' ' O ' ' A' ' 141' ' ' HIS . 20.2 t -51.95 -25.54 8.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.51 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 29.6 mtt -92.36 -1.1 57.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.46 177.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 144' ' ' LYS . . . 74.93 26.62 66.37 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 12.3 t -109.82 117.75 55.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.795 0.331 . . . . 1.0 110.711 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -79.82 -30.77 40.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.305 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.445 ' O ' ' CD2' ' A' ' 170' ' ' HIS . 26.2 m -146.12 121.74 10.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.135 -178.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 34.1 t -114.22 137.6 51.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.946 0.403 . . . . 1.0 111.032 178.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 37.9 tp -99.78 127.22 45.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.007 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.656 HG13 HG23 ' A' ' 167' ' ' VAL . 0.0 OUTLIER -128.07 159.09 39.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.021 0.439 . . . . 1.0 111.246 -178.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . . . . . . . . . 3.4 t -149.12 126.5 5.57 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 115.731 -0.668 . . . . 1.0 109.985 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -77.05 126.99 9.03 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.966 2.444 . . . . 1.0 112.757 -173.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . 0.496 HD23 ' HB1' ' A' ' 188' ' ' ALA . 12.0 mt -104.0 93.94 5.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.82 -0.627 . . . . 1.0 110.239 177.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 23.6 ptm -121.05 138.89 53.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.782 -177.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . 0.621 ' CD2' ' CD2' ' A' ' 159' ' ' HIS . 70.3 t60 -112.86 123.52 50.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.402 177.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.621 ' CD2' ' CD2' ' A' ' 158' ' ' HIS . 7.8 m-70 61.01 -100.82 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.392 -178.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -124.61 5.47 8.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.427 -178.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.464 ' N ' ' OE1' ' A' ' 161' ' ' GLU . 38.2 mp0 -114.42 152.8 30.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.609 -176.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 11.7 tp -106.32 123.23 47.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.399 176.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . 0.415 ' HE1' ' HB3' ' A' ' 158' ' ' HIS . 74.9 m95 -100.34 -42.22 6.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.948 -176.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -150.91 -175.09 22.5 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.194 -0.762 . . . . 1.0 111.194 -176.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 54' ' ' TYR . 45.6 tp -150.13 134.53 17.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.759 0.314 . . . . 1.0 110.422 -178.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 66.2 tp -98.38 138.12 36.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.589 178.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.656 HG23 HG13 ' A' ' 153' ' ' VAL . 10.1 p -143.42 138.6 26.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.732 -178.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.451 ' OG ' HG21 ' A' ' 48' ' ' THR . 0.1 OUTLIER -123.54 143.44 50.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.302 177.361 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -118.27 128.98 55.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.784 -178.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . 0.445 ' CD2' ' O ' ' A' ' 150' ' ' SER . 1.8 p-80 -168.12 162.35 12.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.474 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -61.0 -152.26 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.607 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -124.2 75.3 59.98 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.588 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -81.24 -59.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.849 2.366 . . . . 1.0 112.094 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -146.22 152.83 47.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.524 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.99 178.19 2.54 Favored 'Trans proline' 0 C--N 1.306 -1.685 0 C-N-CA 122.772 2.315 . . . . 1.0 112.065 179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -108.97 140.02 43.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.57 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 25.1 t -91.22 141.38 28.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.523 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . 0.507 ' NE2' ' CD2' ' A' ' 131' ' ' LEU . 90.7 mt-30 -64.65 -38.5 91.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.518 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -63.38 -57.58 9.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.479 -179.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -62.89 -34.54 77.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.433 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 26.3 tp -58.84 -41.23 86.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.403 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -58.57 -51.06 71.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.339 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 49.6 t -42.06 -47.94 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.174 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 97.1 t -73.96 -38.78 50.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.226 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 46.1 tt0 -47.36 -39.21 14.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.117 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 17.8 tp -71.76 -34.95 69.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.028 177.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 12.7 tp -55.54 -31.98 62.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.086 178.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . 0.496 ' HB1' HD23 ' A' ' 156' ' ' LEU . . . -74.39 -35.74 63.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.083 178.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -60.05 -42.8 95.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.195 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -51.64 -53.81 34.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.191 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 72.1 t -55.28 -40.63 57.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.117 178.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 3.2 t -47.72 -37.16 12.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.074 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . 0.479 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -77.38 -34.38 20.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.111 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -70.9 -49.81 41.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.228 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . 0.482 HG23 ' N ' ' A' ' 196' ' ' ALA . 10.7 tp -66.02 -40.05 86.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.244 -179.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.482 ' N ' HG23 ' A' ' 195' ' ' ILE . . . -56.69 -38.29 72.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.335 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 53.9 tp60 -69.83 -22.44 63.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.395 178.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . 0.785 ' HB2' HD12 ' A' ' 31' ' ' LEU . . . -74.38 -35.94 63.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.451 -179.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -62.65 -49.47 75.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.372 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 42.1 tp -68.84 -52.99 24.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.539 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 26.0 m -52.69 -41.59 64.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.565 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 15.8 tp . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.031 -0.985 . . . . 1.0 110.609 179.815 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 301' ' ' CYC . . . . . 0.72 HBB1 ' HB2' ' A' ' 54' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.411 HD21 ' CD1' ' A' ' 195' ' ' ILE . 48.4 tp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.882 0.372 . . . . 1.0 110.572 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -53.26 -34.32 56.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.579 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -76.4 -50.84 13.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.567 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.531 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.5 mp -53.4 -47.48 58.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.493 -178.114 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 87.0 mt -66.96 -27.08 67.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.657 -177.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.24 -34.86 61.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.62 177.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.69 -27.22 29.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.662 179.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 61.6 p -68.67 -50.57 50.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.671 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.474 HG13 ' N ' ' A' ' 40' ' ' GLU . 9.3 p -56.39 -39.92 63.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.673 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.474 ' N ' HG13 ' A' ' 39' ' ' VAL . 91.8 mt-10 -73.56 -40.47 63.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.56 179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -61.44 -51.79 67.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.512 -179.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.9 t -58.89 -49.52 82.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.468 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.547 ' O ' ' N ' ' A' ' 47' ' ' GLY . 38.7 ttp180 -47.52 -43.82 25.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.515 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.64 -37.11 77.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.549 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -76.04 -50.75 13.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.548 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.55 ' O ' ' N ' ' A' ' 48' ' ' THR . 39.0 mt -80.16 -0.43 35.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.507 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.547 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.72 22.13 0.05 OUTLIER Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 178.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.686 HG22 ' H ' ' A' ' 50' ' ' ARG . 1.3 m -75.26 138.06 41.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.818 0.342 . . . . 1.0 110.598 179.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.51 ' OD2' ' NH2' ' A' ' 73' ' ' ARG . 53.8 p30 -73.02 -15.51 61.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.596 -176.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.686 ' H ' HG22 ' A' ' 48' ' ' THR . 44.8 ttp180 -150.49 116.99 5.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.966 0.412 . . . . 1.0 110.985 -179.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 167' ' ' VAL . 9.3 p -148.58 135.84 13.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.843 -0.617 . . . . 1.0 109.885 177.005 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -144.35 162.3 36.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.114 0.483 . . . . 1.0 111.233 -178.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.416 HG22 ' CD1' ' A' ' 166' ' ' LEU . 63.2 t -101.19 136.31 33.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.703 -0.681 . . . . 1.0 109.898 178.04 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.405 ' CZ ' ' HA3' ' A' ' 62' ' ' GLY . 32.2 t80 -118.81 117.83 29.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.932 0.396 . . . . 1.0 111.202 -178.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 52.0 mtp85 -95.33 162.06 13.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.968 -0.56 . . . . 1.0 109.912 179.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -129.17 143.71 50.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.895 0.378 . . . . 1.0 110.906 -178.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -114.75 133.53 22.56 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.283 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -44.88 -24.59 1.28 Allowed 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 122.71 2.273 . . . . 1.0 112.053 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -78.32 -6.43 55.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.472 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 93.5 19.48 35.02 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.761 -0.936 . . . . 1.0 110.761 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -113.32 137.81 50.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.865 0.364 . . . . 1.0 110.726 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.405 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -128.87 149.92 18.6 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.668 -0.973 . . . . 1.0 110.668 179.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.477 HG22 HG22 ' A' ' 81' ' ' THR . 1.7 p -134.81 155.64 50.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 1.0 110.733 -178.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.461 HG12 HD12 ' A' ' 78' ' ' LEU . 10.9 t -97.55 111.83 28.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.223 175.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 65' ' ' VAL . 9.5 p -102.39 -2.65 9.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.808 -175.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -157.34 146.73 20.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.909 0.385 . . . . 1.0 110.897 -179.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -168.63 126.83 1.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.268 179.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -132.53 151.62 51.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.795 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.527 ' O ' ' NH1' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -136.7 143.94 43.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.418 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.45 3.38 79.05 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.833 -0.907 . . . . 1.0 110.833 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -159.63 -114.88 0.38 Allowed Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.781 -0.928 . . . . 1.0 110.781 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 179.98 44.19 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.831 0.348 . . . . 1.0 110.594 179.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.713 ' NH2' ' H ' ' A' ' 171' ' ' ALA . 40.8 ttp180 -78.27 -57.46 3.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.523 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 40.3 mt -92.46 146.67 32.9 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.545 177.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -66.53 168.39 16.59 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.74 2.294 . . . . 1.0 112.059 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 54.9 p -90.17 140.92 29.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.72 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.484 ' O ' ' C ' ' A' ' 78' ' ' LEU . 43.2 mt -116.38 -19.87 9.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.466 -179.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.484 ' C ' ' O ' ' A' ' 77' ' ' LEU . 23.2 tp -34.03 140.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.491 -177.467 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.5 -0.65 71.27 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.81 -0.916 . . . . 1.0 110.81 178.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.3 mt -97.64 134.0 41.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.793 0.33 . . . . 1.0 110.514 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.477 HG22 HG22 ' A' ' 63' ' ' THR . 1.1 p -97.71 124.87 42.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.656 177.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -100.82 146.05 31.44 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.499 -178.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.4 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 76.5 Cg_endo -79.31 145.16 18.75 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.89 2.393 . . . . 1.0 112.18 178.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.87 -33.94 75.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.591 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.87 -22.8 6.36 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.021 -0.832 . . . . 1.0 111.021 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 87' ' ' ILE . 38.6 p-10 -58.62 -33.03 69.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 1.0 110.587 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.527 ' N ' ' OD1' ' A' ' 86' ' ' ASP . 83.4 mt -119.27 102.42 48.44 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.442 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.496 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 81.4 Cg_exo -43.5 -108.69 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.82 2.347 . . . . 1.0 112.157 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.496 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 85.0 tt0 -166.35 -42.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.575 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -53.56 -36.8 62.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.531 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.478 ' CB ' HAD2 ' A' ' 301' ' ' CYC . . . -67.24 -38.95 86.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.622 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.505 HH21 HD22 ' A' ' 162' ' ' LEU . 83.8 mtp180 -70.38 -26.58 63.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.553 -178.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -56.71 -54.57 44.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.518 -179.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.637 HD12 ' N ' ' A' ' 94' ' ' LEU . 9.1 mp -54.77 -38.03 66.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.522 -179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.574 ' CZ ' HBA2 ' A' ' 301' ' ' CYC . 6.9 m-85 -59.97 -31.64 70.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.698 178.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -88.63 -19.92 25.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.706 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.413 HD21 ' O ' ' A' ' 121' ' ' LEU . 10.4 mt -102.79 -47.21 4.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.202 -177.185 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.575 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -99.73 -17.86 17.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.393 -175.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.477 ' C ' ' O ' ' A' ' 98' ' ' ALA . 89.3 mt-30 35.43 64.21 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.369 178.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.55 ' CG2' HH12 ' A' ' 133' ' ' ARG . 16.1 t -111.08 -48.16 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.845 177.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.562 HH21 HG13 ' A' ' 154' ' ' VAL . 0.0 OUTLIER 54.12 64.75 1.72 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.289 175.062 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.593 ' C ' HD12 ' A' ' 103' ' ' ILE . 8.0 p -147.81 124.56 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.637 179.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.593 HD12 ' C ' ' A' ' 102' ' ' VAL . 1.7 mp -108.04 131.38 58.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.344 -0.389 . . . . 1.0 110.713 177.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 10.6 m -82.21 168.69 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.369 -178.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.435 ' C ' ' H ' ' A' ' 107' ' ' GLU . 10.6 m-20 -55.2 119.47 5.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.339 -0.392 . . . . 1.0 110.462 -179.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.6 p -51.46 -11.93 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.571 179.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.733 ' C ' ' H ' ' A' ' 109' ' ' GLN . 7.1 pt-20 -98.02 -26.32 14.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.328 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 105' ' ' ASP . . . -60.86 23.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.343 -179.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.733 ' H ' ' C ' ' A' ' 107' ' ' GLU . 40.7 tp60 74.65 50.71 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.004 -0.543 . . . . 1.0 110.677 177.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -87.33 114.83 24.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.457 179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -150.24 108.73 3.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.809 -179.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.581 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 18.1 m -112.5 157.16 21.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.17 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 16.4 tt -158.2 161.87 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.849 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.0 t -75.6 162.78 27.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.72 179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.458 ' O ' ' NE2' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -161.25 154.62 18.07 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.475 -179.564 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.453 ' O ' ' O ' ' A' ' 117' ' ' GLU . 36.1 Cg_endo -64.96 143.32 78.72 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.798 2.332 . . . . 1.0 112.233 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.453 ' O ' ' O ' ' A' ' 116' ' ' PRO . 95.9 mt-10 56.64 116.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.59 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 48.4 m -117.3 146.15 43.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.565 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 66.9 t-105 -107.98 133.09 52.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.557 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 159.28 93.05 0.09 OUTLIER Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.685 HD12 ' N ' ' A' ' 121' ' ' LEU . 8.1 mp -92.59 144.09 25.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 1.0 110.589 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.418 ' C ' ' H ' ' A' ' 124' ' ' ARG . 25.0 p -79.8 4.52 16.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.577 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.26 2.59 1.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.546 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.418 ' H ' ' C ' ' A' ' 122' ' ' SER . 53.7 ttt180 72.35 46.8 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.566 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 2.9 t -66.51 132.99 94.26 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.551 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 127' ' ' LEU . 82.3 Cg_exo -42.53 169.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.846 2.364 . . . . 1.0 112.103 179.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.654 HD12 ' H ' ' A' ' 127' ' ' LEU . 10.2 mp -35.37 -89.8 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.57 -179.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 51.6 28.94 23.53 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.862 -0.895 . . . . 1.0 110.862 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -130.26 157.35 77.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.888 0.375 . . . . 1.0 110.64 -179.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.462 ' O ' ' NH2' ' A' ' 133' ' ' ARG . 9.0 Cg_endo -48.5 148.67 7.76 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.89 2.393 . . . . 1.0 112.144 179.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.641 ' N ' HD12 ' A' ' 131' ' ' LEU . 9.1 mp -70.28 -9.55 56.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.441 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -135.28 162.9 31.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.495 -179.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.55 HH12 ' CG2' ' A' ' 100' ' ' VAL . 3.9 mmt85 -121.19 83.78 39.44 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.641 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.447 ' C ' ' OG ' ' A' ' 112' ' ' SER . 51.0 Cg_exo -51.7 144.49 33.94 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.764 2.31 . . . . 1.0 111.928 -179.227 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.614 HG21 ' CD2' ' A' ' 139' ' ' HIS . 24.5 m -105.1 160.91 5.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.564 -178.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.581 ' HA ' ' H ' ' A' ' 112' ' ' SER . 0.0 OUTLIER -94.39 161.24 29.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.433 -179.72 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -53.03 -23.96 23.45 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.874 2.382 . . . . 1.0 111.912 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.68 ' CA ' HBC1 ' A' ' 301' ' ' CYC . 0.1 OUTLIER -68.77 -40.69 79.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.423 178.526 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.678 ' CD2' ' C ' ' A' ' 139' ' ' HIS . 0.1 OUTLIER -81.45 -26.32 35.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.268 179.499 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 38.3 t -50.54 -54.04 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.477 178.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -63.49 -40.08 96.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.438 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 40.8 t80 -45.26 -54.39 7.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.464 -179.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 143' ' ' LEU . 21.8 mt -70.95 -50.86 29.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.34 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -55.9 -42.23 75.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.437 -178.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 21.9 t -54.19 -26.4 27.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.569 178.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 52.6 mtt -94.25 -2.54 52.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.531 177.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 70.05 24.25 76.63 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.931 -0.868 . . . . 1.0 110.931 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 148' ' ' VAL . 6.4 p -110.88 123.57 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.341 . . . . 1.0 110.684 179.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -94.83 -19.05 20.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.278 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.432 ' O ' HG22 ' A' ' 148' ' ' VAL . 37.2 t -110.34 138.69 46.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.061 -178.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.464 ' OG ' HG21 ' A' ' 103' ' ' ILE . 5.2 p -145.43 120.75 10.25 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.698 -0.401 . . . . 1.0 111.081 179.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 16.8 tp -120.42 136.58 54.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 1.0 109.999 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.434 HG23 ' C ' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -120.11 149.06 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.012 0.434 . . . . 1.0 111.22 -178.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.562 HG13 HH21 ' A' ' 101' ' ' ARG . 0.9 OUTLIER -151.24 77.32 7.5 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.719 -0.673 . . . . 1.0 109.948 -179.062 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . 0.403 ' HD2' ' NE ' ' A' ' 101' ' ' ARG . 28.9 Cg_endo -61.15 156.92 42.26 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.987 2.458 . . . . 1.0 112.691 -175.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 35.2 mt -118.69 94.21 4.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.256 178.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 18.1 ptm -108.75 135.7 49.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.781 -177.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . 0.507 ' O ' ' HB3' ' A' ' 159' ' ' HIS . 55.3 t60 -120.45 122.9 41.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.44 177.136 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.507 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 62.6 t60 78.47 -117.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.365 -177.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -121.51 7.85 10.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.45 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.538 ' C ' HD12 ' A' ' 162' ' ' LEU . 12.0 mt-10 -118.02 162.16 18.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.558 -177.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.549 HD12 ' N ' ' A' ' 162' ' ' LEU . 10.8 mp -105.46 126.3 51.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.417 177.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . 0.443 ' NE1' ' HB3' ' A' ' 158' ' ' HIS . 97.7 m95 -102.87 -37.29 7.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.881 -176.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -148.94 177.95 26.83 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.196 -0.761 . . . . 1.0 111.196 -177.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . 0.466 HD21 HMA3 ' A' ' 301' ' ' CYC . 33.5 tp -144.72 131.37 19.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.76 0.314 . . . . 1.0 110.418 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.416 ' CD1' HG22 ' A' ' 53' ' ' VAL . 7.7 tp -102.77 148.8 25.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.345 -0.389 . . . . 1.0 110.593 179.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.492 ' O ' HG23 ' A' ' 51' ' ' VAL . 4.6 p -152.57 137.47 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.76 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.17 140.21 52.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.353 178.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . 0.483 ' O ' ' OD1' ' A' ' 49' ' ' ASP . 98.5 m-70 -135.12 134.12 39.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.746 -179.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . 0.509 ' O ' HG23 ' A' ' 148' ' ' VAL . 2.4 p80 -170.1 168.13 8.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.519 -179.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.713 ' H ' ' NH2' ' A' ' 73' ' ' ARG . . . -56.65 -170.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.578 179.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -118.69 80.36 17.26 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.601 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -84.73 -59.16 0.02 OUTLIER 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.893 2.395 . . . . 1.0 112.086 179.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 2.9 ptp85 -142.51 152.65 60.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.573 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.12 176.25 4.05 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.854 2.369 . . . . 1.0 112.029 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . 0.414 ' CD1' ' O ' ' A' ' 176' ' ' TYR . 20.3 p90 -115.59 137.48 52.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.625 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 26.2 t -90.23 143.92 26.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.558 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . 0.489 ' CD ' ' H ' ' A' ' 178' ' ' GLN . 27.5 mp0 -63.93 -32.77 74.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.509 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.11 -45.74 91.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.496 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -72.77 -30.92 64.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.417 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 29.6 tp -56.89 -37.08 70.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.432 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -68.99 -51.21 41.79 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.33 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 57.2 t -43.08 -49.34 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.168 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . 0.416 HG11 HD21 ' A' ' 46' ' ' LEU . 27.2 m -75.4 -34.64 30.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.172 -179.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -48.86 -39.88 27.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.11 177.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 53.1 mt -74.04 -33.0 63.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.038 178.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 30.4 tp -56.8 -32.2 65.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.101 179.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -74.91 -39.15 61.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.083 178.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -55.29 -39.71 70.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.158 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 67.1 tp60 -54.26 -53.81 48.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.118 178.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 44.0 t -55.31 -41.79 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.141 178.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 3.9 t -48.56 -32.14 7.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.502 . . . . 1.0 110.01 179.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 64.9 mt -80.44 -34.28 14.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.159 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -70.21 -46.52 64.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.266 -179.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . 0.506 HG23 ' N ' ' A' ' 196' ' ' ALA . 8.3 tp -64.21 -42.1 94.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.255 179.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.506 ' N ' HG23 ' A' ' 195' ' ' ILE . . . -67.43 -53.68 26.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.346 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -60.25 -24.54 64.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.373 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -74.39 -37.57 63.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.462 -179.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -55.0 -38.8 68.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.481 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 40.1 tp -62.45 -57.41 11.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.478 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 29.4 m -52.85 -41.93 64.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.534 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 44.6 mt . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 117.951 -1.023 . . . . 1.0 110.564 179.56 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 301' ' ' CYC . . . . . 0.68 HBC1 ' CA ' ' A' ' 138' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.0 mt . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.774 0.321 . . . . 1.0 110.51 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.451 ' OD1' HG11 ' A' ' 65' ' ' VAL . 65.9 m-20 -72.67 -33.56 66.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.562 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -76.85 -55.0 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.512 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.532 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.5 mp -51.02 -54.6 9.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.638 -178.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.0 mt -58.44 -31.85 68.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.493 . . . . 1.0 110.638 -177.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.531 ' HE ' ' C ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -50.3 -40.23 47.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.607 179.521 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -79.27 -26.16 42.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.659 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.2 p -71.49 -43.26 66.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.592 178.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.548 HG21 ' CB ' ' A' ' 66' ' ' ALA . 81.1 t -58.63 -40.68 79.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.688 179.016 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -72.13 -41.69 66.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.602 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -60.62 -45.55 93.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.429 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.477 ' CG1' HD12 ' A' ' 46' ' ' LEU . 55.7 t -63.91 -47.46 90.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.555 179.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.521 ' O ' ' N ' ' A' ' 47' ' ' GLY . 0.8 OUTLIER -48.05 -44.75 31.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.548 179.667 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.07 -38.15 85.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.498 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -76.7 -52.3 9.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.583 -178.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.477 HD12 ' CG1' ' A' ' 42' ' ' VAL . 95.9 mt -80.23 -3.76 50.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.626 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 41.78 67.2 0.86 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.976 -0.85 . . . . 1.0 110.976 178.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.5 136.26 53.92 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.817 0.342 . . . . 1.0 110.543 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.542 ' OD2' ' NE ' ' A' ' 73' ' ' ARG . 24.0 p30 -70.74 -14.13 62.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.593 -177.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.541 ' NH1' ' OE2' ' A' ' 67' ' ' GLU . 57.6 ttm-85 -155.81 116.73 3.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.98 0.419 . . . . 1.0 111.008 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.0 p -151.66 138.28 12.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.818 -0.628 . . . . 1.0 109.799 176.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.533 ' NZ ' HAB2 ' A' ' 301' ' ' CYC . 12.6 pttp -146.98 162.6 38.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.103 0.478 . . . . 1.0 111.237 -177.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.7 p -101.46 137.16 30.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.694 -0.684 . . . . 1.0 109.899 177.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.537 ' HB2' HBB1 ' A' ' 301' ' ' CYC . 14.8 t80 -120.3 118.81 31.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.911 0.386 . . . . 1.0 111.201 -177.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -94.74 164.21 13.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.001 -0.545 . . . . 1.0 109.836 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.544 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 77.4 t80 -130.37 146.89 52.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.94 0.4 . . . . 1.0 110.903 -178.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.544 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 23.4 m-20 -116.43 147.68 40.15 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.249 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.99 -24.9 75.5 Favored 'Trans proline' 0 C--N 1.305 -1.761 0 C-N-CA 122.805 2.337 . . . . 1.0 112.083 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.3 mp0 -77.05 -6.87 54.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.34 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.87 23.82 19.4 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.786 -0.925 . . . . 1.0 110.786 179.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.429 ' O ' ' N ' ' A' ' 57' ' ' ASP . 93.0 m-70 -119.19 140.92 49.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.868 0.366 . . . . 1.0 110.738 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.695 ' O ' HG23 ' A' ' 81' ' ' THR . . . -133.36 153.97 21.02 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.708 -0.957 . . . . 1.0 110.708 179.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 21.8 p -138.24 159.14 42.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.892 0.377 . . . . 1.0 110.712 -177.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.496 HG12 HD12 ' A' ' 78' ' ' LEU . 5.5 t -100.22 113.2 35.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.198 175.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.451 HG11 ' OD1' ' A' ' 32' ' ' ASP . 29.2 m -101.53 1.91 10.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.844 -175.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.548 ' CB ' HG21 ' A' ' 39' ' ' VAL . . . -162.34 151.62 15.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.949 0.404 . . . . 1.0 110.864 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.541 ' OE2' ' NH1' ' A' ' 50' ' ' ARG . 71.7 tt0 -166.35 126.23 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.934 -0.575 . . . . 1.0 110.202 -179.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -125.95 145.75 50.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.82 179.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.471 ' H ' ' HD2' ' A' ' 69' ' ' ARG . 0.0 OUTLIER -143.45 151.23 40.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.48 -179.266 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -100.01 -55.76 0.98 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.876 -0.889 . . . . 1.0 110.876 178.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.85 -131.55 4.51 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.726 -0.949 . . . . 1.0 110.726 178.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -172.74 59.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.807 0.337 . . . . 1.0 110.547 178.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.615 HH12 ' HB2' ' A' ' 171' ' ' ALA . 17.2 ptp180 -91.8 -16.64 26.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.451 177.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.52 ' HB2' ' HE ' ' A' ' 50' ' ' ARG . 12.2 mt -132.23 151.81 79.02 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.466 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.531 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 49.8 Cg_endo -71.98 172.36 14.81 Favored 'Trans proline' 0 C--N 1.306 -1.681 0 C-N-CA 122.79 2.327 . . . . 1.0 112.094 179.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.8 t -84.23 115.76 22.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.67 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.5 ' O ' ' C ' ' A' ' 78' ' ' LEU . 36.9 mt -90.21 -25.42 20.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.494 -178.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.5 ' C ' ' O ' ' A' ' 77' ' ' LEU . 6.3 tp -32.79 139.01 0.05 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.589 -178.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.28 0.02 68.14 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.844 -0.902 . . . . 1.0 110.844 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.5 mt -92.0 129.59 37.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.79 0.329 . . . . 1.0 110.561 -179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.695 HG23 ' O ' ' A' ' 62' ' ' GLY . 23.6 m -94.68 120.47 34.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.663 177.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.429 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 15.9 m-85 -98.01 144.02 27.28 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.498 -178.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.405 ' O ' ' CG ' ' A' ' 86' ' ' ASP . 71.8 Cg_endo -78.91 140.37 16.07 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.797 2.331 . . . . 1.0 112.187 178.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.37 -34.33 66.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.718 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -51.44 -23.09 8.54 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.003 -0.839 . . . . 1.0 111.003 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.543 ' OD1' ' N ' ' A' ' 87' ' ' ILE . 40.5 p-10 -59.53 -29.58 67.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.803 0.335 . . . . 1.0 110.599 -179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.561 ' O ' ' O ' ' A' ' 88' ' ' PRO . 95.7 mt -118.92 99.31 51.13 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.467 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.561 ' O ' ' O ' ' A' ' 87' ' ' ILE . 88.0 Cg_exo -45.59 -116.5 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.872 2.381 . . . . 1.0 112.146 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.431 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 42.5 tp10 -156.97 -58.85 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.518 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -45.12 -37.45 4.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.592 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.524 ' HB1' HH22 ' A' ' 133' ' ' ARG . . . -69.5 -51.23 37.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.561 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -55.64 -25.61 40.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.545 -178.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 45.0 mtm180 -63.22 -49.67 73.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.528 -178.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' A' ' 98' ' ' ALA . 57.3 mt -47.8 -50.93 24.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.459 -178.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -56.86 -27.26 60.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.689 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -87.64 -21.62 25.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.621 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 9.6 mp -104.06 -49.66 3.56 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.232 -177.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.567 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -96.09 -15.6 22.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.413 -175.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.503 ' C ' ' O ' ' A' ' 98' ' ' ALA . 89.1 mt-30 33.22 62.14 0.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.348 178.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.63 HG23 ' N ' ' A' ' 101' ' ' ARG . 22.7 m -110.55 -48.89 6.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.87 177.08 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.63 ' N ' HG23 ' A' ' 100' ' ' VAL . 0.4 OUTLIER 55.14 67.06 1.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.252 174.079 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.627 ' C ' HD12 ' A' ' 103' ' ' ILE . 12.7 p -148.04 126.85 3.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.614 179.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.715 HD12 ' N ' ' A' ' 103' ' ' ILE . 2.6 mp -112.95 136.06 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.667 178.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.686 HG12 ' N ' ' A' ' 105' ' ' ASP . 46.1 t -84.62 170.52 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.303 -178.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.686 ' N ' HG12 ' A' ' 104' ' ' VAL . 82.2 m-20 -49.99 120.81 4.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.343 -0.39 . . . . 1.0 110.42 -179.185 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 15.1 m -56.52 -6.96 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.579 178.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.436 ' H ' ' C ' ' A' ' 105' ' ' ASP . 1.7 pp20? -77.92 -33.17 51.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.339 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.27 -14.58 27.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.337 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 48.91 61.0 3.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.738 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.2 m -86.63 139.93 30.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.437 175.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 71.7 mtm-85 -121.79 131.93 54.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.839 -177.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.446 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 5.7 t -139.47 116.16 10.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.186 177.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.515 ' N ' HD13 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -120.89 -166.49 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 1.0 110.752 -179.279 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 69.3 p -81.91 172.22 13.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.706 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 72.6 mm-40 -143.32 147.84 41.85 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.491 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo -38.68 -61.95 0.35 Allowed 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.866 2.377 . . . . 1.0 112.135 179.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.414 ' C ' ' N ' ' A' ' 119' ' ' TRP . 2.8 pt-20 -162.5 -94.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.654 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.6 m 50.72 14.38 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.635 179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.414 ' N ' ' C ' ' A' ' 117' ' ' GLU . 67.8 t-105 -55.84 -39.43 71.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.566 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 57.33 -138.03 48.55 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.951 -0.86 . . . . 1.0 110.951 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 42.6 mt -89.34 140.5 29.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 1.0 110.547 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 79.5 p -144.11 42.88 1.43 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.456 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.557 ' O ' ' HB2' ' A' ' 124' ' ' ARG . . . -55.18 -59.61 4.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.512 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.557 ' HB2' ' O ' ' A' ' 123' ' ' ALA . 20.7 tpt180 168.4 86.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.512 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.681 ' O ' HG13 ' A' ' 125' ' ' VAL . 7.1 p -115.08 95.49 42.25 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.537 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_exo -48.69 128.53 18.65 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.763 2.308 . . . . 1.0 112.105 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 23.5 mt 62.4 -126.03 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.551 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 69.22 33.44 73.57 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -139.11 161.65 56.59 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.37 . . . . 1.0 110.603 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -45.84 156.45 0.44 Allowed 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.861 2.374 . . . . 1.0 112.156 179.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.9 tp -69.5 -9.31 53.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.425 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -133.34 168.44 18.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.455 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.524 HH22 ' HB1' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -130.54 115.99 17.25 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.658 -179.36 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_endo -80.27 144.66 16.52 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.781 2.32 . . . . 1.0 111.965 178.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.445 HG21 ' ND1' ' A' ' 139' ' ' HIS . 23.6 m -127.59 135.11 64.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.544 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.584 ' OD2' HBD2 ' A' ' 301' ' ' CYC . 0.3 OUTLIER -46.87 160.12 0.34 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.478 179.481 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -52.93 -12.59 2.1 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.861 2.374 . . . . 1.0 111.884 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.427 ' SG ' ' CHD' ' A' ' 301' ' ' CYC . 0.0 OUTLIER -60.06 -47.61 85.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.395 179.526 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.744 ' CE1' HD22 ' A' ' 143' ' ' LEU . 1.3 t-80 -82.56 -27.73 31.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.292 -177.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 88.5 t -54.7 -63.12 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.493 -179.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -64.58 -45.03 88.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.429 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -43.98 -44.96 7.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.501 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.744 HD22 ' CE1' ' A' ' 139' ' ' HIS . 1.8 mp -72.05 -48.52 43.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.383 178.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -54.33 -42.51 70.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.446 -179.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 34.5 m -53.21 -25.24 13.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.547 178.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 37.7 mtt -93.03 -3.06 55.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.409 178.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 69.74 23.72 76.66 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.577 HG13 ' O ' ' A' ' 148' ' ' VAL . 5.4 p -109.99 123.59 66.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.78 0.324 . . . . 1.0 110.659 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -94.53 -25.85 16.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.243 -179.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 32.3 t -103.43 138.02 40.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.9 -0.591 . . . . 1.0 110.099 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.687 ' HB3' HD21 ' A' ' 143' ' ' LEU . 0.0 OUTLIER -143.29 118.93 10.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.941 0.4 . . . . 1.0 111.04 179.622 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 59.1 tp -116.78 133.82 55.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.978 -0.555 . . . . 1.0 110.02 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.437 HG23 ' HB3' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -118.96 152.05 21.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 121.117 0.484 . . . . 1.0 111.213 -178.596 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 188' ' ' ALA . 66.9 t -152.41 75.18 7.24 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 115.724 -0.671 . . . . 1.0 109.924 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_exo -53.63 151.06 26.09 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.897 2.398 . . . . 1.0 112.669 -176.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 42.1 mt -117.63 96.35 5.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.833 -0.621 . . . . 1.0 110.21 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 19.7 ptm -118.14 137.89 52.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.775 -178.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . 0.627 ' ND1' ' CD2' ' A' ' 159' ' ' HIS . 6.9 t-80 -117.59 135.08 54.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.376 177.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.627 ' CD2' ' ND1' ' A' ' 158' ' ' HIS . 84.8 m-70 65.76 -115.7 0.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.311 -178.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -119.57 4.55 11.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.448 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -117.11 165.39 13.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.059 -0.518 . . . . 1.0 110.616 -177.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 19.5 tp -107.4 122.49 46.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.474 177.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -99.89 -37.19 9.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.882 -177.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -150.59 -178.39 25.41 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.196 -0.762 . . . . 1.0 111.196 -178.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 4.2 tp -147.14 144.73 29.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.772 0.32 . . . . 1.0 110.412 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 166' ' ' LEU . 13.9 tp -117.7 141.93 47.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.586 178.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 20.6 t -148.57 133.96 10.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.702 -177.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 16.9 m -118.25 145.67 44.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.383 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . 0.651 ' ND1' ' N ' ' A' ' 169' ' ' HIS . 0.0 OUTLIER -140.8 133.64 29.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.776 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . 0.724 ' CD2' ' N ' ' A' ' 171' ' ' ALA . 21.1 t60 -169.93 163.73 9.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.506 -178.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.724 ' N ' ' CD2' ' A' ' 170' ' ' HIS . . . -52.01 -171.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.596 178.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -121.78 79.29 40.14 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.651 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -83.83 -48.14 0.05 OUTLIER 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.848 2.365 . . . . 1.0 112.107 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 76.2 mtm180 -146.37 151.84 44.75 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.494 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -68.26 176.25 5.79 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.807 2.338 . . . . 1.0 112.091 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . 0.482 ' OH ' ' CG2' ' A' ' 102' ' ' VAL . 21.3 p90 -117.34 135.84 53.56 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.611 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 54.3 p -86.01 143.54 28.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.535 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . 0.453 ' CD ' ' H ' ' A' ' 178' ' ' GLN . 27.4 mp0 -67.06 -36.9 83.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.497 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -58.89 -47.35 85.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.494 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.93 -32.96 70.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.459 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 25.3 tp -56.03 -45.44 79.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.406 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.409 ' O ' ' N ' ' A' ' 185' ' ' GLN . 26.1 mt-30 -60.11 -53.03 62.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.285 -179.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 81.0 t -42.1 -42.74 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.132 178.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . 0.426 HG21 HD21 ' A' ' 46' ' ' LEU . 85.2 t -74.5 -37.6 44.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.081 -0.508 . . . . 1.0 110.176 179.223 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 182' ' ' GLN . 61.2 tt0 -48.47 -39.18 22.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.048 178.183 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 27.8 tp -72.06 -34.02 68.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.049 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 22.4 tp -56.38 -30.53 62.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.128 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . 0.473 ' HB2' ' CG1' ' A' ' 154' ' ' VAL . . . -71.97 -38.04 69.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.095 178.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -56.48 -40.95 75.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.163 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -53.46 -55.59 24.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.138 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 84.3 t -56.84 -41.71 76.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.089 178.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 3.8 t -49.44 -34.5 16.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.179 179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 1.5 mp -78.97 -33.98 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.981 -0.554 . . . . 1.0 110.15 178.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -70.85 -46.91 61.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.245 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 2.7 tp -65.28 -33.82 66.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.28 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.501 ' HB2' ' CD2' ' A' ' 158' ' ' HIS . . . -74.45 -54.99 6.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.989 -0.55 . . . . 1.0 110.3 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -62.14 -26.06 68.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.386 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -73.43 -39.58 64.88 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.413 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -53.28 -36.77 61.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.366 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 40.5 tp -64.58 -56.68 12.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.523 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 19.3 m -63.63 -50.11 70.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.531 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 31.4 mt . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.025 -0.988 . . . . 1.0 110.499 -179.903 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 301' ' ' CYC . . . . . 0.584 HBD2 ' OD2' ' A' ' 136' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.1 tp . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.785 0.326 . . . . 1.0 110.518 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -54.24 -48.75 70.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.536 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -61.08 -46.08 92.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.582 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.593 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.4 mp -64.87 -32.07 56.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.626 -178.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.456 ' O ' HG22 ' A' ' 38' ' ' THR . 81.3 mt -78.61 -20.88 49.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.647 -178.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.571 ' O ' HG12 ' A' ' 39' ' ' VAL . 72.7 mtp180 -76.35 -33.3 58.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.615 178.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -83.91 -31.16 25.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.568 -178.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.536 ' CG2' ' N ' ' A' ' 39' ' ' VAL . 3.5 t -70.83 -44.34 66.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.596 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.571 HG12 ' O ' ' A' ' 36' ' ' ARG . 5.1 p -55.21 -36.67 40.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.698 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -74.96 -34.77 62.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.559 179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -66.24 -47.99 72.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.556 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.8 t -61.67 -54.39 35.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.544 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.553 ' O ' ' N ' ' A' ' 47' ' ' GLY . 4.9 tmm_? -47.77 -40.96 22.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.552 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.33 -37.67 81.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.581 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -76.53 -49.22 17.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.577 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.589 ' O ' ' N ' ' A' ' 48' ' ' THR . 10.9 mt -79.0 -3.39 44.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.542 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.553 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.41 20.32 0.03 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.589 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.5 m -71.89 139.41 48.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.872 0.368 . . . . 1.0 110.534 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.522 ' OD2' ' NH1' ' A' ' 73' ' ' ARG . 80.2 m-20 -48.21 -47.89 35.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.064 -0.517 . . . . 1.0 110.605 -177.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.403 ' H ' HG22 ' A' ' 48' ' ' THR . 19.7 mtp-105 -138.22 132.32 31.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.001 0.429 . . . . 1.0 110.974 -176.098 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 2.8 t -142.96 131.72 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.86 -0.609 . . . . 1.0 109.753 176.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 51.1 pttt -142.66 157.3 44.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.099 0.476 . . . . 1.0 111.207 -178.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.778 HG12 ' HB3' ' A' ' 66' ' ' ALA . 9.9 p -102.97 139.74 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.66 -0.7 . . . . 1.0 109.873 177.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.477 ' CG ' HBB1 ' A' ' 301' ' ' CYC . 22.7 t80 -122.88 120.12 32.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.844 0.354 . . . . 1.0 111.182 -177.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.461 ' HG3' ' H ' ' A' ' 56' ' ' PHE . 4.7 tpt180 -95.85 162.74 13.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.999 -0.546 . . . . 1.0 109.898 179.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.535 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 85.5 t80 -129.81 145.02 51.58 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.722 -0.391 . . . . 1.0 110.903 -178.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.535 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 24.8 m-20 -114.05 148.42 39.97 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.281 179.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.61 -23.87 76.92 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.685 2.257 . . . . 1.0 112.05 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -78.27 -4.93 50.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.36 -179.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 84' ' ' ALA . . . 93.33 21.52 29.44 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.766 -0.933 . . . . 1.0 110.766 179.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.404 ' O ' ' CG ' ' A' ' 57' ' ' ASP . 90.7 m-70 -116.81 140.29 49.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.803 0.335 . . . . 1.0 110.715 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -132.8 154.88 21.33 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.572 -1.011 . . . . 1.0 110.572 179.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 76.4 p -139.1 158.26 44.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.745 0.307 . . . . 1.0 110.763 -178.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.1 t -101.57 117.04 46.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.181 176.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 26.6 m -106.88 1.89 10.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.817 -176.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.778 ' HB3' HG12 ' A' ' 53' ' ' VAL . . . -158.09 148.66 20.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.935 0.398 . . . . 1.0 110.895 -179.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.0 tt0 -166.68 127.19 1.61 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.953 -0.567 . . . . 1.0 110.261 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -122.64 120.38 33.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 1.0 110.763 178.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.508 ' HA ' ' O ' ' A' ' 49' ' ' ASP . 42.9 ptt85 -112.04 143.09 43.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.495 -178.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -94.7 -78.94 1.43 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.867 -0.893 . . . . 1.0 110.867 179.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -82.44 -117.58 0.53 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.776 -0.93 . . . . 1.0 110.776 178.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -179.3 50.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.831 0.348 . . . . 1.0 110.593 178.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.522 ' NH1' ' OD2' ' A' ' 49' ' ' ASP . 3.1 ptp85 -85.75 -16.46 38.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.514 177.008 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 15.9 mt -138.4 149.29 62.52 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.512 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.81 173.16 8.51 Favored 'Trans proline' 0 C--N 1.305 -1.749 0 C-N-CA 122.758 2.305 . . . . 1.0 112.139 -178.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.3 t -94.59 135.69 35.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.753 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.1 mt -106.82 0.85 24.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.497 -179.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 68.9 tp -55.6 137.09 49.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.545 -178.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 89.51 0.53 79.24 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.876 -0.89 . . . . 1.0 110.876 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 15.2 tp -90.5 130.57 36.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.768 0.318 . . . . 1.0 110.551 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 81' ' ' THR . 10.1 t -100.83 129.35 46.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.635 177.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -96.88 143.35 25.96 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.565 -178.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -80.96 145.51 15.7 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.757 2.305 . . . . 1.0 112.182 178.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 60' ' ' GLY . . . -55.7 -43.81 76.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.616 179.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.6 -24.31 7.55 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.995 -0.842 . . . . 1.0 110.995 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -52.72 -21.2 3.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 1.0 110.593 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.602 ' CD1' HH21 ' A' ' 92' ' ' ARG . 26.9 pt -135.39 144.6 50.24 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.472 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.52 -99.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.305 -1.736 0 C-N-CA 122.838 2.359 . . . . 1.0 112.162 178.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -166.1 -45.11 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.603 179.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -51.19 -38.28 51.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.568 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.93 -49.2 54.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.616 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.602 HH21 ' CD1' ' A' ' 87' ' ' ILE . 32.0 ttm180 -58.2 -31.56 67.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.58 -178.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.5 mmt180 -54.25 -44.86 72.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.467 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.654 ' O ' ' N ' ' A' ' 98' ' ' ALA . 8.8 mp -52.26 -37.9 56.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.503 179.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.775 ' CE1' HBA2 ' A' ' 301' ' ' CYC . 13.0 m-85 -58.27 -21.1 47.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.713 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.573 ' C ' HD12 ' A' ' 97' ' ' LEU . 53.5 mtp85 -95.03 -33.99 12.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.726 -177.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.651 HD12 ' N ' ' A' ' 97' ' ' LEU . 9.0 mp -105.98 -37.71 6.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.197 -176.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.654 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -84.36 -35.05 23.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.448 -176.474 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.617 ' NE2' ' SD ' ' A' ' 157' ' ' MET . 85.0 mt-30 33.68 58.0 0.55 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.444 ' H ' ' HE ' ' A' ' 101' ' ' ARG . 5.3 t -145.36 -50.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.809 178.22 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.814 ' H ' ' NE ' ' A' ' 101' ' ' ARG . 4.1 mmp_? 50.44 98.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.29 174.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.517 ' C ' HD12 ' A' ' 103' ' ' ILE . 69.9 t -153.42 124.29 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.597 177.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.613 HD12 ' N ' ' A' ' 103' ' ' ILE . 1.7 mp -101.2 132.21 47.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.729 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.609 HG12 ' H ' ' A' ' 105' ' ' ASP . 4.8 t -85.15 170.82 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.298 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.609 ' H ' HG12 ' A' ' 104' ' ' VAL . 0.6 OUTLIER -60.67 116.95 4.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.466 -178.755 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 149' ' ' ALA . 0.8 OUTLIER -52.05 -12.23 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.571 179.712 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.704 ' C ' ' H ' ' A' ' 109' ' ' GLN . 3.9 pt-20 -92.34 -28.2 17.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.263 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.5 ' O ' ' HB2' ' A' ' 109' ' ' GLN . . . -62.17 21.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.35 178.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.704 ' H ' ' C ' ' A' ' 107' ' ' GLU . 79.8 mt-30 74.28 48.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.683 178.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.6 t -87.49 119.87 28.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.374 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -155.29 110.37 3.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.458 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 39.3 t -102.71 146.1 28.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.993 -0.548 . . . . 1.0 110.22 179.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 9.0 mt -146.75 151.49 14.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.757 -179.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 75.1 p -78.35 169.15 18.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.63 179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.473 ' N ' ' CD ' ' A' ' 115' ' ' GLN . 0.4 OUTLIER -146.82 153.4 46.22 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.519 -179.828 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -70.22 -9.71 26.57 Favored 'Trans proline' 0 C--N 1.304 -1.804 0 C-N-CA 122.92 2.413 . . . . 1.0 112.192 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.6 tp10 -79.09 140.81 37.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.647 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.2 t -71.69 155.42 40.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.621 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.493 ' CD1' ' N ' ' A' ' 119' ' ' TRP . 5.6 m0 -70.95 137.35 49.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.565 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -105.95 87.97 0.54 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 36.5 mt -91.47 141.82 28.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.885 0.374 . . . . 1.0 110.526 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.8 t -93.34 154.39 18.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.512 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.559 ' O ' ' HB2' ' A' ' 124' ' ' ARG . . . -56.49 -39.38 73.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.543 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.559 ' HB2' ' O ' ' A' ' 123' ' ' ALA . 55.6 ttt180 164.67 91.67 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.549 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 95.2 t -120.6 106.72 39.51 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.542 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -45.74 125.68 8.21 Favored 'Trans proline' 0 C--N 1.305 -1.717 0 C-N-CA 122.774 2.316 . . . . 1.0 112.07 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.633 HD12 ' N ' ' A' ' 127' ' ' LEU . 9.5 mp 49.18 -166.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.611 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 96.64 -14.13 64.52 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.871 -0.892 . . . . 1.0 110.871 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.43 ' N ' ' OE1' ' A' ' 129' ' ' GLU . 8.0 mp0 -72.7 159.36 85.54 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.996 0.427 . . . . 1.0 110.571 179.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_endo -48.25 136.08 24.98 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.894 2.396 . . . . 1.0 112.127 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 49.4 mt -69.45 -29.8 67.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.442 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -130.24 166.19 20.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.42 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.592 HH21 ' NH1' ' A' ' 101' ' ' ARG . 8.4 ttm180 -133.62 94.18 19.79 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.698 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_exo -48.78 147.06 10.45 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.81 2.34 . . . . 1.0 111.94 -179.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.682 HG11 ' CE1' ' A' ' 139' ' ' HIS . 21.2 m -98.89 152.03 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.486 -178.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.631 ' OD2' HMD2 ' A' ' 301' ' ' CYC . 0.3 OUTLIER -94.82 154.82 39.77 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.482 179.482 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -43.87 -32.13 4.15 Favored 'Trans proline' 0 C--N 1.304 -1.771 0 C-N-CA 122.839 2.359 . . . . 1.0 111.886 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.517 ' SG ' ' CHD' ' A' ' 301' ' ' CYC . 0.1 OUTLIER -73.71 -30.9 63.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.348 178.506 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.682 ' CE1' HG11 ' A' ' 135' ' ' VAL . 5.6 t-80 -86.48 -34.59 20.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.274 177.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 79.1 t -48.26 -45.84 13.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.505 178.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.516 ' O ' ' N ' ' A' ' 145' ' ' SER . 84.4 t60 -68.17 -40.86 82.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.44 178.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -47.79 -59.42 3.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.486 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.492 HD13 ' CE1' ' A' ' 139' ' ' HIS . 0.5 OUTLIER -68.28 -49.96 56.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.441 -179.29 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -56.01 -40.81 73.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.491 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.516 ' N ' ' O ' ' A' ' 141' ' ' HIS . 33.8 t -52.72 -29.51 27.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.488 . . . . 1.0 110.509 178.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 46.6 mtt -87.77 -1.03 57.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.409 178.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 72.77 22.42 79.06 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.924 -0.87 . . . . 1.0 110.924 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.453 HG13 ' H ' ' A' ' 170' ' ' HIS . 23.8 t -105.49 113.64 42.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.777 0.322 . . . . 1.0 110.729 179.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.434 ' O ' HG13 ' A' ' 106' ' ' VAL . . . -79.24 -26.86 42.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.275 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.512 ' O ' ' CD2' ' A' ' 170' ' ' HIS . 29.5 t -148.4 116.66 6.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.908 -0.587 . . . . 1.0 110.161 -179.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 12.1 t -108.25 133.31 52.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 1.0 111.053 178.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 36.3 tp -97.63 126.43 42.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.01 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.722 HG23 ' O ' ' A' ' 101' ' ' ARG . 0.0 OUTLIER -122.19 154.91 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.044 0.45 . . . . 1.0 111.158 -179.019 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.413 ' CG2' ' C ' ' A' ' 153' ' ' VAL . 0.9 OUTLIER -151.0 111.47 3.09 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 115.646 -0.706 . . . . 1.0 109.927 -179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -72.57 131.26 17.14 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.944 2.429 . . . . 1.0 112.688 -172.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 16.9 mt -103.5 94.63 5.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.16 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.617 ' SD ' ' NE2' ' A' ' 99' ' ' GLN . 16.2 ptm -116.06 136.31 53.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.767 -177.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . 0.498 ' CE1' ' CB ' ' A' ' 196' ' ' ALA . 31.1 t60 -115.85 122.25 44.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.424 176.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.452 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 16.0 t60 71.25 -110.8 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.353 -177.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -121.96 3.23 9.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.423 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.481 ' CG ' ' N ' ' A' ' 162' ' ' LEU . 47.9 tt0 -115.03 159.17 21.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.551 -177.096 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.481 ' N ' ' CG ' ' A' ' 161' ' ' GLU . 11.3 mt -104.79 127.57 52.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.492 178.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 98.8 m95 -106.67 -41.17 5.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.872 -177.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -146.15 -179.92 22.69 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.209 -0.756 . . . . 1.0 111.209 -177.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 35.3 tp -149.63 135.86 19.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.693 0.282 . . . . 1.0 110.45 -179.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . . . . . . . . . 33.1 tp -100.47 142.89 31.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.384 -0.371 . . . . 1.0 110.578 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.541 HG21 ' OB ' ' A' ' 301' ' ' CYC . 10.8 p -148.03 138.44 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.715 -178.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -124.33 145.35 49.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.409 178.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -120.96 129.47 53.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.759 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . 0.512 ' CD2' ' O ' ' A' ' 150' ' ' SER . 4.6 p80 -166.99 161.09 14.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.502 179.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -65.06 -154.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.609 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . 0.43 ' OE2' ' OE1' ' A' ' 107' ' ' GLU . 4.2 pt-20 -120.9 80.52 33.64 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.581 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -78.94 -59.2 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.845 2.363 . . . . 1.0 112.068 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -154.93 151.74 23.86 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.459 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -49.42 168.57 0.13 Allowed 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.789 2.326 . . . . 1.0 112.064 179.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -111.12 122.21 47.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.562 179.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 26.2 t -70.3 138.12 51.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.589 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -66.24 -35.32 80.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.481 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.32 -55.25 22.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.476 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -64.61 -31.47 72.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.358 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 26.5 tp -59.02 -41.43 87.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.447 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -59.14 -48.69 80.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.356 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 55.7 t -43.66 -50.09 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.149 179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 187' ' ' LEU . 96.2 t -72.98 -39.33 57.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.188 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 -46.47 -38.95 9.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.068 178.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 27.2 tp -73.16 -34.23 65.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.027 178.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 184' ' ' VAL . 25.6 tp -56.1 -33.03 64.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.036 179.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -71.56 -35.17 70.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.106 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -59.14 -40.51 85.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.172 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 59.5 tp60 -54.17 -56.33 19.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.208 179.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 92.5 t -55.58 -44.87 78.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.155 178.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 7.8 t -49.17 -33.98 13.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.153 179.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 69.1 mt -81.28 -36.31 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.157 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -64.72 -45.98 84.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.264 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 2.4 pp -68.1 -26.7 34.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.295 179.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.498 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.12 -56.28 4.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.342 178.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -59.99 -25.34 65.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.356 178.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -74.15 -38.06 63.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.465 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -51.55 -37.23 48.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.387 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 41.4 mt -57.89 -57.55 12.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.476 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 84.1 p -50.51 -40.75 52.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.513 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 26.7 mt . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.988 -1.006 . . . . 1.0 110.618 179.68 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 301' ' ' CYC . . . . . 0.775 HBA2 ' CE1' ' A' ' 95' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 mp . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.796 0.331 . . . . 1.0 110.563 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.409 ' OD1' HG11 ' A' ' 65' ' ' VAL . 53.2 m-20 -55.71 -37.96 69.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.538 -179.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -74.13 -54.1 8.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.543 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.7 mm -53.05 -48.26 53.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.559 -178.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.3 mt -61.63 -28.0 69.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.616 -177.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.534 ' NH1' ' OE2' ' A' ' 40' ' ' GLU . 0.4 OUTLIER -55.31 -40.63 71.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.59 179.382 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -77.63 -29.51 51.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.639 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.4 p -66.66 -46.01 77.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.633 178.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.536 HG21 ' CB ' ' A' ' 66' ' ' ALA . 86.7 t -56.37 -38.89 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.698 178.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.534 ' OE2' ' NH1' ' A' ' 36' ' ' ARG . 98.1 mt-10 -75.38 -38.22 60.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.538 179.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.458 ' OE1' HD11 ' A' ' 187' ' ' LEU . 14.8 tm-20 -59.71 -48.24 82.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.508 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.468 ' CG1' HD12 ' A' ' 46' ' ' LEU . 78.9 t -63.2 -43.34 98.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.502 179.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.472 ' O ' ' N ' ' A' ' 47' ' ' GLY . 54.4 ttp85 -47.85 -45.79 30.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.503 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.54 -40.76 95.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.567 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -72.61 -54.3 9.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.577 -178.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.592 ' O ' ' N ' ' A' ' 48' ' ' THR . 92.0 mt -78.75 0.85 25.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.58 179.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.34 20.44 0.03 OUTLIER Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 178.042 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.592 ' N ' ' O ' ' A' ' 46' ' ' LEU . 0.9 OUTLIER -74.84 139.63 43.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 1.0 110.52 179.582 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.493 ' O ' ' N ' ' A' ' 70' ' ' GLY . 89.7 m-20 -66.11 -29.96 70.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.678 -176.25 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.69 ' NE ' HH12 ' A' ' 69' ' ' ARG . 4.1 ttt180 -137.9 126.56 23.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.984 -175.401 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.499 ' CG1' HG21 ' A' ' 48' ' ' THR . 0.0 OUTLIER -148.89 132.15 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.858 -0.61 . . . . 1.0 109.784 175.89 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -144.14 153.12 41.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.929 0.395 . . . . 1.0 111.333 179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.4 HG12 ' HB3' ' A' ' 66' ' ' ALA . 5.8 p -99.02 136.5 29.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.789 -0.641 . . . . 1.0 109.819 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.409 ' CZ ' ' HA3' ' A' ' 62' ' ' GLY . 19.5 t80 -118.48 118.88 32.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.892 0.377 . . . . 1.0 111.186 -178.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -94.45 162.35 13.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.0 -0.545 . . . . 1.0 109.941 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -130.41 144.85 51.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.936 0.398 . . . . 1.0 110.879 -178.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.487 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 2.2 m-20 -115.86 136.25 22.86 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.248 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -46.05 -28.17 5.03 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.733 2.289 . . . . 1.0 112.103 179.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -74.9 -8.3 56.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.388 -178.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.25 21.13 23.43 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.817 -0.913 . . . . 1.0 110.817 179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 57' ' ' ASP . 77.3 m80 -116.36 139.94 49.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.892 0.377 . . . . 1.0 110.697 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.409 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -130.92 152.05 19.81 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.589 -1.004 . . . . 1.0 110.589 179.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 81.8 p -136.24 156.56 48.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.766 0.317 . . . . 1.0 110.853 -178.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 9.6 t -100.72 115.22 41.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.282 176.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.409 HG11 ' OD1' ' A' ' 32' ' ' ASP . 29.9 m -104.38 2.46 10.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.787 -175.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.536 ' CB ' HG21 ' A' ' 39' ' ' VAL . . . -160.76 149.82 16.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.945 0.402 . . . . 1.0 110.884 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.41 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 88.9 tt0 -168.28 128.27 1.26 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.93 -0.577 . . . . 1.0 110.261 -179.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -126.16 128.82 47.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.408 . . . . 1.0 110.848 178.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.774 ' NH2' ' H ' ' A' ' 74' ' ' LEU . 40.8 mtp85 -110.5 141.8 43.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.475 -179.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -91.66 -107.42 1.54 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 179.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -58.96 -11.07 9.96 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.741 -0.944 . . . . 1.0 110.741 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 60.9 tt0 69.35 63.33 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.842 0.353 . . . . 1.0 110.575 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.594 ' NH2' HG22 ' A' ' 148' ' ' VAL . 5.3 ptm180 -87.37 -53.91 4.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.55 179.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.774 ' H ' ' NH2' ' A' ' 69' ' ' ARG . 6.8 mt -96.81 169.6 8.54 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.479 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.547 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 2.6 Cg_exo -77.47 175.48 11.24 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.766 2.31 . . . . 1.0 112.1 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 55.8 p -90.51 133.31 35.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.68 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.5 mt -104.99 -9.4 17.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.433 -179.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.41 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 16.2 tp -49.17 137.38 13.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.548 -178.075 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 92.77 -1.2 71.07 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.904 -0.878 . . . . 1.0 110.904 179.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 94.9 mt -99.09 133.57 43.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.772 0.32 . . . . 1.0 110.576 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -94.23 122.61 36.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.277 -0.42 . . . . 1.0 110.627 178.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -98.03 140.77 22.12 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.533 -179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.73 144.85 25.19 Favored 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 122.808 2.339 . . . . 1.0 112.185 178.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.05 -32.48 74.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.667 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.63 -21.6 3.44 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.964 -0.854 . . . . 1.0 110.964 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -60.02 -32.89 71.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.839 0.352 . . . . 1.0 110.602 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.501 ' O ' ' O ' ' A' ' 88' ' ' PRO . 1.8 pt -120.64 94.6 48.9 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.514 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.56 ' HG2' HBD1 ' A' ' 301' ' ' CYC . 92.5 Cg_exo -40.49 -106.26 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.783 2.322 . . . . 1.0 112.237 -179.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.445 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 87.6 tt0 -162.7 -51.59 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.561 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -47.8 -37.55 13.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.549 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.523 ' HB2' HBD2 ' A' ' 301' ' ' CYC . . . -67.68 -37.66 82.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.635 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.404 ' HE ' ' HA ' ' A' ' 89' ' ' GLU . 65.6 mtm180 -69.61 -24.8 63.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.534 -179.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 97' ' ' LEU . 90.4 mtt-85 -57.53 -54.85 42.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.547 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.594 ' O ' ' N ' ' A' ' 98' ' ' ALA . 17.2 mt -52.49 -37.53 57.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.491 179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' A' ' 101' ' ' ARG . 6.2 m-85 -65.58 -34.3 77.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.717 178.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 66.8 mtm180 -89.82 -20.95 22.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.326 -0.397 . . . . 1.0 110.62 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 93' ' ' ARG . 9.4 mp -102.99 -50.33 3.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.249 -177.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.594 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -97.44 -12.98 22.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.946 -0.57 . . . . 1.0 110.411 -176.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.507 ' C ' ' O ' ' A' ' 98' ' ' ALA . 87.0 mt-30 32.75 61.02 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.319 178.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.618 HG23 ' N ' ' A' ' 101' ' ' ARG . 34.7 m -104.93 -48.95 9.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.836 176.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.635 HH21 HG23 ' A' ' 154' ' ' VAL . 0.0 OUTLIER 54.23 58.32 5.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.242 172.459 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.573 ' C ' HD12 ' A' ' 103' ' ' ILE . 27.0 t -148.85 125.27 2.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.552 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.717 HD12 ' N ' ' A' ' 103' ' ' ILE . 2.2 mp -107.34 132.97 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.712 177.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.458 HG22 ' H ' ' A' ' 104' ' ' VAL . 2.5 m -82.75 169.04 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.342 -178.206 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.422 ' C ' ' H ' ' A' ' 107' ' ' GLU . 9.0 m-20 -53.97 120.61 6.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.468 -179.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 106' ' ' VAL . 10.1 p -51.93 -11.78 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.551 179.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.691 ' C ' ' H ' ' A' ' 109' ' ' GLN . 6.3 pt-20 -95.8 -26.34 15.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.366 178.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.466 ' O ' ' HB2' ' A' ' 109' ' ' GLN . . . -62.84 23.45 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.299 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.691 ' H ' ' C ' ' A' ' 107' ' ' GLU . 77.8 mt-30 73.02 49.61 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.73 177.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 38.7 m -86.48 117.38 25.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.386 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -155.86 120.14 4.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.787 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.603 ' OG ' ' N ' ' A' ' 136' ' ' ASP . 1.0 OUTLIER -116.3 155.48 28.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.192 178.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.459 HG13 ' N ' ' A' ' 114' ' ' SER . 10.9 tp -154.27 157.71 4.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.754 -179.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.459 ' N ' HG13 ' A' ' 113' ' ' ILE . 54.4 p -75.41 163.52 27.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.697 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -172.78 76.52 0.43 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.469 -179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -79.11 73.67 5.91 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.891 2.394 . . . . 1.0 112.208 -179.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -160.9 -26.05 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.598 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 81.0 p -148.91 168.93 21.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.619 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.471 ' CD1' ' O ' ' A' ' 119' ' ' TRP . 76.4 t-105 54.18 58.32 5.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.522 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.505 ' O ' ' O ' ' A' ' 121' ' ' LEU . . . -78.27 27.9 2.04 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.609 HD12 ' N ' ' A' ' 121' ' ' LEU . 10.0 mp 57.18 128.32 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.796 0.331 . . . . 1.0 110.588 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 35.9 t -73.55 157.69 36.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.469 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.615 ' O ' ' HB2' ' A' ' 124' ' ' ARG . . . -59.83 -23.95 63.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.515 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.615 ' HB2' ' O ' ' A' ' 123' ' ' ALA . 53.5 ttp85 159.93 85.88 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.573 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 125' ' ' VAL . 8.2 p -97.73 132.45 24.99 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.561 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.73 126.6 12.18 Favored 'Trans proline' 0 C--N 1.304 -1.783 0 C-N-CA 122.845 2.363 . . . . 1.0 112.06 178.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.41 ' C ' ' N ' ' A' ' 129' ' ' GLU . 20.4 mt 56.09 -131.32 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.575 -178.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 51.41 14.45 1.48 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.903 -0.879 . . . . 1.0 110.903 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.41 ' N ' ' C ' ' A' ' 127' ' ' LEU . 33.2 mt-10 -102.54 150.08 37.31 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 1.0 110.613 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.418 ' CG ' ' NH1' ' A' ' 133' ' ' ARG . 42.4 Cg_endo -68.09 161.81 42.76 Favored 'Trans proline' 0 C--N 1.305 -1.755 0 C-N-CA 122.872 2.381 . . . . 1.0 112.169 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.669 ' N ' HD12 ' A' ' 131' ' ' LEU . 8.7 mp -80.01 -14.98 58.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.454 -179.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -133.11 168.6 18.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.453 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.502 HH21 ' CB ' ' A' ' 98' ' ' ALA . 23.8 mmt180 -136.08 123.76 14.84 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.649 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -79.39 141.25 15.82 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.749 2.299 . . . . 1.0 112.013 177.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 2.2 t -123.54 132.25 71.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.549 -179.024 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.603 ' N ' ' OG ' ' A' ' 112' ' ' SER . 3.2 m-20 -42.95 158.74 0.22 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.442 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -50.38 -10.88 0.28 Allowed 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.868 2.378 . . . . 1.0 111.834 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.44 ' SG ' ' CHD' ' A' ' 301' ' ' CYC . 1.1 m -58.18 -47.9 81.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.361 178.115 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -32.46 67.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.267 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 76.6 t -53.79 -63.06 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.468 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.438 ' O ' ' N ' ' A' ' 145' ' ' SER . 84.4 t60 -69.26 -48.84 60.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.381 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . 0.533 ' CZ ' ' CE ' ' A' ' 146' ' ' MET . 76.9 t80 -48.16 -53.6 16.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.502 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 2.7 tp -67.95 -50.0 58.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.41 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 147' ' ' GLY . 24.5 tptp -56.63 -41.38 77.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.424 179.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.485 ' OG ' ' O ' ' A' ' 142' ' ' TYR . 74.8 p -52.27 -26.4 11.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.502 179.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.533 ' CE ' ' CZ ' ' A' ' 142' ' ' TYR . 5.8 mtt -90.84 -0.65 57.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.422 177.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 144' ' ' LYS . . . 70.97 22.92 78.48 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.594 HG22 ' NH2' ' A' ' 73' ' ' ARG . 14.6 t -110.7 121.0 62.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.796 0.331 . . . . 1.0 110.67 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -93.66 -22.97 18.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.291 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.478 ' O ' HG12 ' A' ' 148' ' ' VAL . 47.4 t -106.86 137.95 43.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.126 -179.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 2.4 p -141.86 105.0 4.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.938 0.399 . . . . 1.0 111.032 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 28.0 tp -103.88 119.91 39.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.933 -0.576 . . . . 1.0 109.996 177.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.458 ' CG2' ' N ' ' A' ' 154' ' ' VAL . 2.2 p -115.97 155.85 17.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.054 0.454 . . . . 1.0 111.247 -177.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.635 HG23 HH21 ' A' ' 101' ' ' ARG . 7.0 p -160.6 100.64 1.34 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.765 -0.652 . . . . 1.0 109.934 -179.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_endo -68.88 156.59 64.9 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.838 2.359 . . . . 1.0 112.736 -175.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 26.3 mt -118.15 95.72 5.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.873 -0.603 . . . . 1.0 110.233 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 21.2 ptm -115.13 138.82 50.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.744 -178.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . 0.423 ' CG ' ' HB2' ' A' ' 196' ' ' ALA . 71.3 t60 -113.33 124.38 52.34 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.068 -0.514 . . . . 1.0 110.389 177.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.411 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 80.2 t60 65.82 -106.79 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.412 -178.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . 0.614 ' O ' ' NE2' ' A' ' 160' ' ' GLN . 35.6 tp60 -120.95 -1.23 9.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.409 -178.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -113.14 156.66 22.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.611 -176.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 6.1 tt -107.47 125.52 51.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.448 178.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 79.8 m95 -100.32 -39.87 7.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.833 -177.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -149.05 -178.21 23.88 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.228 -0.749 . . . . 1.0 111.228 -177.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 5.1 tp -144.71 132.7 21.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.699 0.285 . . . . 1.0 110.475 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.585 ' HB3' HG13 ' A' ' 154' ' ' VAL . 18.7 tp -105.34 150.55 25.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.587 178.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 9.4 p -153.04 147.02 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.699 -178.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.507 ' O ' ' ND1' ' A' ' 169' ' ' HIS . 24.5 t -127.43 141.56 51.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.321 178.304 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . 0.507 ' ND1' ' O ' ' A' ' 168' ' ' SER . 11.7 m-70 -139.93 135.13 32.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.739 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . 0.575 ' HD1' ' CB ' ' A' ' 48' ' ' THR . 2.1 p-80 -170.87 167.16 7.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.457 -179.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.544 ' N ' ' NH1' ' A' ' 73' ' ' ARG . . . -53.91 -169.25 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.581 179.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 53.9 tt0 -117.62 81.78 15.12 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.577 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -84.37 -56.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.836 2.358 . . . . 1.0 112.122 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -146.8 153.13 45.98 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.498 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -65.28 176.67 3.08 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.771 2.314 . . . . 1.0 112.069 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . 0.487 ' CD1' ' O ' ' A' ' 176' ' ' TYR . 30.1 p90 -117.66 134.7 54.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.663 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 57.8 m -85.74 144.39 27.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.534 -179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -66.72 -35.83 81.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.491 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -60.95 -48.98 79.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.509 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -70.11 -31.23 68.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.475 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 29.4 tp -56.45 -35.74 68.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.43 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.421 ' HA ' HE21 ' A' ' 185' ' ' GLN . 56.7 mt-30 -70.58 -50.42 37.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.364 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 62.0 t -43.8 -49.21 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.124 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . 0.458 ' O ' ' N ' ' A' ' 187' ' ' LEU . 5.8 p -73.78 -37.6 49.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.209 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.421 HE21 ' HA ' ' A' ' 182' ' ' GLN . 6.9 tt0 -45.85 -37.63 6.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.134 178.252 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 61.7 mt -70.11 -36.21 74.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.088 177.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . 0.727 HD23 ' O ' ' A' ' 187' ' ' LEU . 1.4 tt -55.4 -33.37 63.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.038 -0.528 . . . . 1.0 109.999 178.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -74.41 -37.57 63.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.074 179.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -56.16 -38.97 71.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.148 178.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . 0.501 ' O ' HG22 ' A' ' 193' ' ' ILE . 94.5 mt-30 -54.71 -48.51 72.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.133 179.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 59.9 t -60.58 -45.35 97.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.046 -0.524 . . . . 1.0 110.144 178.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 16.5 m -49.95 -46.67 52.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.101 -178.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . 0.501 HG22 ' O ' ' A' ' 190' ' ' GLN . 13.3 tt -77.79 -27.19 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.147 -179.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -67.76 -45.54 74.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.233 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 17.7 pt -71.78 -20.92 20.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.276 179.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.423 ' HB2' ' CG ' ' A' ' 158' ' ' HIS . . . -76.12 -56.37 4.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.282 178.143 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -61.49 -24.22 66.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.366 178.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -73.32 -38.18 65.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.471 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -53.22 -37.78 62.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.424 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . 0.556 ' C ' HD23 ' A' ' 200' ' ' LEU . 3.1 tt -59.53 -60.46 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.477 -179.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 18.8 m -57.1 -44.63 83.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.488 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.613 ' N ' HD12 ' A' ' 202' ' ' LEU . 10.0 mp . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 118.035 -0.983 . . . . 1.0 110.557 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 301' ' ' CYC . . . . . 0.56 HBD1 ' HG2' ' A' ' 88' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.2 tp . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.793 0.33 . . . . 1.0 110.624 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.421 ' OD1' HG11 ' A' ' 65' ' ' VAL . 73.3 m-20 -56.48 -36.45 69.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.611 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -73.25 -53.34 11.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.584 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.543 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.6 mp -50.91 -54.58 9.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.603 -178.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 73.4 mt -57.9 -31.66 66.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.615 -177.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -51.04 -39.93 57.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.573 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.25 -27.64 38.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.602 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.4 p -67.39 -43.76 80.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.688 178.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.568 HG21 ' CB ' ' A' ' 66' ' ' ALA . 57.9 t -58.94 -39.64 78.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.654 178.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.422 ' OE2' ' HB2' ' A' ' 68' ' ' ALA . 73.5 mm-40 -73.69 -45.45 52.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.582 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -58.15 -49.31 77.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.532 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.0 t -60.61 -45.45 97.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.428 179.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.514 ' O ' ' N ' ' A' ' 47' ' ' GLY . 41.2 ttp180 -48.32 -44.06 33.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.515 179.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.02 -41.01 95.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.541 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -71.85 -52.53 16.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.578 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.573 ' O ' ' N ' ' A' ' 48' ' ' THR . 66.0 mt -79.77 1.84 25.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.519 178.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.15 21.39 0.03 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.992 -0.843 . . . . 1.0 110.992 178.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.926 ' HG1' ' CE1' ' A' ' 170' ' ' HIS . 1.4 m -72.57 136.76 45.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.815 0.341 . . . . 1.0 110.615 179.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.535 ' O ' ' N ' ' A' ' 70' ' ' GLY . 4.3 p30 -69.26 -26.67 64.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.579 -177.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.568 ' NH2' ' OE2' ' A' ' 67' ' ' GLU . 26.1 ttt-85 -143.01 120.35 11.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.965 0.412 . . . . 1.0 111.003 -177.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 5.4 p -150.1 137.84 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.837 -0.62 . . . . 1.0 109.807 177.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.495 ' NZ ' HAB2 ' A' ' 301' ' ' CYC . 33.8 pttt -145.78 164.98 30.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.003 0.43 . . . . 1.0 111.235 -179.213 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.426 HG12 ' HB3' ' A' ' 66' ' ' ALA . 4.9 p -110.26 138.37 38.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.774 -0.648 . . . . 1.0 109.871 178.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.407 ' CZ ' ' HA3' ' A' ' 62' ' ' GLY . 12.8 t80 -120.8 119.68 33.4 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.802 -0.359 . . . . 1.0 111.218 -178.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -94.36 163.1 13.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.009 -0.541 . . . . 1.0 109.875 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.531 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 70.8 t80 -130.03 145.38 51.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.04 0.448 . . . . 1.0 110.817 -178.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.531 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 8.1 m-20 -114.51 147.59 38.41 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.309 179.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.92 -24.2 71.61 Favored 'Trans proline' 0 C--N 1.304 -1.767 0 C-N-CA 122.683 2.256 . . . . 1.0 112.037 -179.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -77.94 -1.26 31.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.42 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 90.27 22.08 36.14 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.811 -0.916 . . . . 1.0 110.811 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.518 ' O ' ' N ' ' A' ' 57' ' ' ASP . 76.1 m80 -119.54 143.57 47.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.811 0.339 . . . . 1.0 110.739 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.407 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -134.91 156.32 22.45 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.612 -0.995 . . . . 1.0 110.612 178.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.419 HG23 HG22 ' A' ' 81' ' ' THR . 4.3 m -137.71 159.08 42.97 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.854 -0.339 . . . . 1.0 110.758 -178.031 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.7 t -98.44 111.29 27.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.135 175.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.421 HG11 ' OD1' ' A' ' 32' ' ' ASP . 28.4 m -99.43 1.96 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.825 -175.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.568 ' CB ' HG21 ' A' ' 39' ' ' VAL . . . -164.17 150.1 10.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.903 0.383 . . . . 1.0 110.904 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.568 ' OE2' ' NH2' ' A' ' 50' ' ' ARG . 42.1 tt0 -167.66 127.44 1.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.323 -179.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.422 ' HB2' ' OE2' ' A' ' 40' ' ' GLU . . . -123.38 136.28 54.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.839 179.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 49' ' ' ASP . 83.5 mtm180 -120.26 142.63 48.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.509 -179.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -94.77 -108.6 2.17 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.896 -0.882 . . . . 1.0 110.896 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -55.72 -5.55 0.91 Allowed Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.841 -0.904 . . . . 1.0 110.841 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.482 ' H ' ' C ' ' A' ' 70' ' ' GLY . 68.2 tt0 64.94 58.04 0.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.75 0.31 . . . . 1.0 110.582 179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.5 ' CZ ' ' OD2' ' A' ' 49' ' ' ASP . 16.5 ptp180 -86.02 -48.8 8.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.513 178.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.425 ' N ' ' CG ' ' A' ' 73' ' ' ARG . 11.9 mt -97.67 152.04 37.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.484 178.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -67.88 171.87 11.61 Favored 'Trans proline' 0 C--N 1.305 -1.713 0 C-N-CA 122.729 2.286 . . . . 1.0 112.111 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.4 p -88.2 128.1 35.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.669 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.9 mt -104.82 -11.52 16.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.475 -179.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 20.0 tp -41.05 136.52 1.49 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.519 -178.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.09 -1.79 78.04 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.847 -0.901 . . . . 1.0 110.847 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.408 HD23 ' CZ ' ' A' ' 82' ' ' PHE . 28.2 tp -93.88 127.75 39.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.762 0.315 . . . . 1.0 110.561 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.419 HG22 HG23 ' A' ' 63' ' ' THR . 24.6 p -91.23 120.78 32.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.594 179.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.408 ' CZ ' HD23 ' A' ' 80' ' ' LEU . 36.3 m-85 -94.37 139.09 22.3 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.526 179.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.26 136.95 18.49 Favored 'Trans proline' 0 C--N 1.304 -1.81 0 C-N-CA 122.921 2.414 . . . . 1.0 112.204 178.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.93 -34.34 65.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.613 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -49.76 -22.35 4.18 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.027 -0.829 . . . . 1.0 111.027 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -60.29 -32.54 71.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.819 0.342 . . . . 1.0 110.628 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.582 ' O ' ' O ' ' A' ' 88' ' ' PRO . 23.4 mm -108.9 103.8 52.98 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.536 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.582 ' O ' ' O ' ' A' ' 87' ' ' ILE . 89.3 Cg_exo -46.42 -121.91 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.78 2.32 . . . . 1.0 112.198 179.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.403 ' HG3' HH21 ' A' ' 92' ' ' ARG . 85.6 tt0 -158.96 -38.43 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.592 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -64.85 -38.02 89.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.583 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.592 ' HB2' HBD2 ' A' ' 301' ' ' CYC . . . -63.96 -34.46 78.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.526 -179.277 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.403 HH21 ' HG3' ' A' ' 89' ' ' GLU . 73.7 mtm180 -69.85 -23.42 63.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.556 -178.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 21.1 mtp-105 -55.59 -57.07 13.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.472 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.634 ' O ' ' N ' ' A' ' 98' ' ' ALA . 58.8 mt -56.48 -33.59 66.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.474 -179.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.669 ' CZ ' ' NH1' ' A' ' 101' ' ' ARG . 3.2 m-85 -63.56 -29.93 71.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.721 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.546 ' C ' HD12 ' A' ' 97' ' ' LEU . 94.6 mtm-85 -88.65 -23.23 23.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.72 -178.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.546 HD12 ' C ' ' A' ' 96' ' ' ARG . 9.9 mp -107.22 -43.27 4.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.22 -177.078 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.634 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -89.12 -31.89 17.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.45 -175.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 98' ' ' ALA . 94.2 mt-30 37.43 64.82 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.328 179.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.542 ' H ' ' NH2' ' A' ' 101' ' ' ARG . 2.0 m -120.97 -43.52 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.783 176.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.9 ' H ' ' CZ ' ' A' ' 101' ' ' ARG . 0.2 OUTLIER 57.48 66.69 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.309 173.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.582 ' C ' HD12 ' A' ' 103' ' ' ILE . 8.0 p -146.74 124.71 3.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.591 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.582 HD12 ' C ' ' A' ' 102' ' ' VAL . 1.7 mp -108.96 134.37 51.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.743 177.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.687 HG22 ' N ' ' A' ' 105' ' ' ASP . 12.6 p -80.41 169.59 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.313 -178.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.687 ' N ' HG22 ' A' ' 104' ' ' VAL . 3.5 m-20 -48.16 119.29 2.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.397 -178.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.89 -11.14 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.523 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.553 ' C ' ' H ' ' A' ' 109' ' ' GLN . 4.3 pt-20 -84.82 -29.5 25.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.349 179.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.462 ' O ' ' CG ' ' A' ' 109' ' ' GLN . . . -57.22 -0.73 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.387 178.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.553 ' H ' ' C ' ' A' ' 107' ' ' GLU . 15.6 pt20 39.98 50.52 2.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.959 -0.564 . . . . 1.0 110.68 179.061 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 135' ' ' VAL . 53.8 p -89.95 135.31 33.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.424 174.126 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 77.0 mtm180 -120.54 138.78 53.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.849 -175.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.8 m -142.69 118.8 10.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.17 176.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 21.4 pt -120.0 -167.54 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.752 -179.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.1 p -75.0 173.6 10.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.66 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -128.75 79.23 74.8 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.5 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -77.01 -1.63 11.82 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 C-N-CA 122.857 2.371 . . . . 1.0 112.156 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -61.27 -30.6 70.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.578 179.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 30.6 m -157.06 92.35 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.593 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 71.6 t-105 -86.56 138.6 31.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.626 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.454 ' O ' ' O ' ' A' ' 121' ' ' LEU . . . 83.51 -179.63 52.44 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.915 -0.874 . . . . 1.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.454 ' O ' ' O ' ' A' ' 120' ' ' GLY . 30.1 tp 58.51 145.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.837 0.351 . . . . 1.0 110.542 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.4 p 43.18 32.66 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.512 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.9 -50.96 68.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.502 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -102.0 86.67 2.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.568 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 1.8 m -111.18 112.76 54.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.554 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.431 ' O ' ' O ' ' A' ' 127' ' ' LEU . 83.2 Cg_exo -45.59 142.41 7.07 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.771 2.314 . . . . 1.0 112.146 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' A' ' 126' ' ' PRO . 27.3 mt 39.23 -160.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.566 -179.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 78.58 2.97 86.22 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.525 ' CD ' ' H ' ' A' ' 129' ' ' GLU . 0.1 OUTLIER -86.76 156.14 55.74 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 120.932 0.396 . . . . 1.0 110.598 179.792 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.64 143.66 75.61 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.943 2.429 . . . . 1.0 112.159 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.462 ' O ' ' NE2' ' A' ' 132' ' ' GLN . 43.3 mt -71.37 -15.82 62.39 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.398 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . 0.462 ' NE2' ' O ' ' A' ' 131' ' ' LEU . 94.7 mm-40 -134.64 160.02 39.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.45 -179.133 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.458 ' NH2' ' O1D' ' A' ' 301' ' ' CYC . 0.0 OUTLIER -122.7 84.21 48.96 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.623 179.334 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -49.39 149.66 9.13 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 122.78 2.32 . . . . 1.0 111.978 -178.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.997 HG23 HG12 ' A' ' 140' ' ' VAL . 15.8 m -100.91 153.68 4.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.532 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.92 ' O ' HG13 ' A' ' 140' ' ' VAL . 0.0 OUTLIER -94.81 158.24 35.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.47 -178.353 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.408 ' O ' HG22 ' A' ' 140' ' ' VAL . 50.1 Cg_exo -47.39 -26.97 6.5 Favored 'Trans proline' 0 C--N 1.304 -1.79 0 C-N-CA 122.788 2.325 . . . . 1.0 111.928 -178.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.699 ' CA ' HBC1 ' A' ' 301' ' ' CYC . 0.1 OUTLIER -76.97 -37.84 54.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.386 178.352 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.533 ' ND1' ' CG1' ' A' ' 135' ' ' VAL . 52.0 t-80 -84.34 -43.01 15.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.232 -177.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.997 HG12 HG23 ' A' ' 135' ' ' VAL . 3.1 m -47.34 -44.37 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.539 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.56 ' N ' HG23 ' A' ' 140' ' ' VAL . 83.5 t60 -64.79 -37.89 89.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.473 177.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -48.05 -54.38 13.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.457 178.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.439 ' HA ' HD23 ' A' ' 143' ' ' LEU . 86.4 mt -66.83 -51.15 59.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.355 179.527 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -57.25 -41.15 79.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.428 -179.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 32.7 t -54.36 -28.15 41.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.5 178.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 43.7 mtt -91.84 0.89 57.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.522 177.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 69.84 23.82 76.7 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.915 -0.874 . . . . 1.0 110.915 179.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.616 HG12 ' O ' ' A' ' 150' ' ' SER . 6.3 t -108.03 115.56 49.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.831 0.348 . . . . 1.0 110.668 179.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -82.24 -30.74 30.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.228 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.616 ' O ' HG12 ' A' ' 148' ' ' VAL . 73.0 m -106.77 141.51 37.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.139 -178.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . 0.4 ' OG ' HG21 ' A' ' 103' ' ' ILE . 8.7 p -140.5 121.01 14.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.914 0.388 . . . . 1.0 111.137 -179.284 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 64.8 tp -115.07 129.29 56.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.032 -0.531 . . . . 1.0 110.013 177.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.704 HG13 ' HB3' ' A' ' 101' ' ' ARG . 2.9 p -117.69 155.7 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.07 0.462 . . . . 1.0 111.204 -177.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.587 HG23 ' O ' ' A' ' 153' ' ' VAL . 49.8 t -159.17 111.14 1.55 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.701 -0.682 . . . . 1.0 109.965 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -83.94 152.72 12.86 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 122.923 2.415 . . . . 1.0 112.735 -179.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 41.0 mt -117.79 96.72 5.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.211 178.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 19.5 ptm -119.64 137.36 53.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.762 -178.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . 0.513 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 35.7 t-80 -119.82 123.88 44.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.053 -0.522 . . . . 1.0 110.456 177.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.486 ' CB ' ' O ' ' A' ' 158' ' ' HIS . 23.7 t-80 79.01 -114.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.373 -178.248 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -121.01 4.18 10.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.44 -179.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 71.8 mm-40 -117.77 162.0 18.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.044 -0.526 . . . . 1.0 110.588 -177.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.598 HD12 ' N ' ' A' ' 162' ' ' LEU . 6.9 mp -105.34 124.02 48.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.463 177.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -100.22 -39.85 7.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.871 -177.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -148.48 -177.66 22.93 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.203 -0.759 . . . . 1.0 111.203 -178.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 3.6 tp -145.16 130.27 18.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.788 0.328 . . . . 1.0 110.456 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.527 ' HB3' ' O ' ' A' ' 154' ' ' VAL . 12.4 tp -105.93 140.73 38.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.606 177.406 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.512 ' CG1' ' NE2' ' A' ' 169' ' ' HIS . 37.2 t -148.13 137.27 15.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.696 -176.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 1.1 p -123.85 142.22 51.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.428 178.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . 0.512 ' NE2' ' CG1' ' A' ' 167' ' ' VAL . 88.1 m-70 -139.51 142.73 37.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.766 -179.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . 0.926 ' CE1' ' HG1' ' A' ' 48' ' ' THR . 1.2 p-80 -172.67 168.59 5.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.474 -179.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -53.51 -174.95 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.61 178.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 55.2 tt0 -117.63 82.42 15.97 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.578 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_endo -85.31 -35.24 0.16 Allowed 'Trans proline' 0 C--N 1.305 -1.721 0 C-N-CA 122.842 2.361 . . . . 1.0 112.098 179.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -160.64 154.0 18.48 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.456 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.73 179.56 2.59 Favored 'Trans proline' 0 C--N 1.306 -1.67 0 C-N-CA 122.764 2.309 . . . . 1.0 112.059 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -101.51 125.0 48.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.658 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 59.9 p -85.35 147.8 26.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.613 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -66.95 -35.53 80.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.457 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.3 -46.51 90.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.474 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -74.25 -31.99 62.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.432 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 20.1 tp -50.83 -52.67 39.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.397 -179.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -60.97 -51.89 67.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.273 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 93.9 t -43.11 -47.85 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.186 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 90.9 t -75.12 -35.67 35.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.013 -0.54 . . . . 1.0 110.147 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -50.4 -42.06 53.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.1 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 26.1 tp -73.22 -33.95 65.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.075 178.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 11.5 tp -57.14 -30.74 64.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.148 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -72.29 -39.17 68.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.082 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -58.2 -39.33 78.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.183 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -54.24 -56.64 16.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.181 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 95.2 t -56.33 -42.8 75.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.126 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 4.5 m -49.52 -33.6 15.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.098 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 70.0 mt -81.24 -33.97 13.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.967 -0.56 . . . . 1.0 110.062 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -69.21 -46.23 67.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.277 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 19.4 tt -64.18 -33.66 63.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.238 179.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.513 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -75.75 -55.36 5.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.356 179.074 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -56.07 -25.99 47.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.431 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -75.63 -34.85 60.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.51 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -54.19 -39.67 66.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.42 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . 0.637 ' N ' HD12 ' A' ' 200' ' ' LEU . 9.4 mp -56.68 -62.52 1.68 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.548 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 22.7 m -61.73 -46.29 90.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.434 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 16.2 tp . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.979 -1.01 . . . . 1.0 110.526 179.857 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 301' ' ' CYC . . . . . 0.699 HBC1 ' CA ' ' A' ' 138' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.2 tp . . . . . 0 C--O 1.23 0.039 0 CA-C-O 120.808 0.337 . . . . 1.0 110.589 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.411 ' OD1' ' O ' ' A' ' 65' ' ' VAL . 51.3 t0 -64.99 -33.49 76.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.604 179.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -77.07 -54.84 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.55 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.732 HD13 ' O ' ' A' ' 34' ' ' ILE . 0.3 OUTLIER -56.32 -35.67 43.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.519 -178.15 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.436 ' N ' ' CG2' ' A' ' 34' ' ' ILE . 84.7 mt -73.01 -27.58 61.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.637 -179.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.414 ' O ' HG12 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -58.51 -34.38 70.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.602 179.296 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -82.46 -23.27 34.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.626 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 34' ' ' ILE . 72.9 p -75.97 -47.21 25.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.672 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.515 HG13 ' N ' ' A' ' 40' ' ' GLU . 7.8 p -58.3 -42.13 82.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.691 -178.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.515 ' N ' HG13 ' A' ' 39' ' ' VAL . 23.6 pt-20 -75.86 -38.87 57.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.573 -178.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.4 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 41.0 mm-40 -63.8 -42.34 97.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.511 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.5 t -65.54 -51.61 61.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.49 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.572 ' O ' ' N ' ' A' ' 47' ' ' GLY . 34.5 ttp180 -47.32 -40.44 17.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.536 179.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.16 -37.6 80.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.575 179.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -78.74 -50.48 11.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.529 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.565 HD21 HG11 ' A' ' 184' ' ' VAL . 57.7 mt -77.89 -5.29 50.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.542 179.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.572 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 42.55 19.13 0.05 OUTLIER Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 178.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.639 ' HG1' ' CE1' ' A' ' 170' ' ' HIS . 1.7 m -71.78 137.17 47.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.814 0.34 . . . . 1.0 110.559 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.516 ' O ' ' N ' ' A' ' 70' ' ' GLY . 87.7 m-20 -53.54 -42.94 67.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.597 -177.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.623 HH12 HD11 ' A' ' 77' ' ' LEU . 21.8 ttm180 -136.2 126.44 26.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.018 -175.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 3.4 t -142.2 129.85 20.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.902 -0.59 . . . . 1.0 109.893 175.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.439 ' HE3' HAB2 ' A' ' 301' ' ' CYC . 40.0 pttt -144.13 154.42 43.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.128 0.49 . . . . 1.0 111.25 -177.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 56.3 t -101.08 137.54 28.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.721 -0.672 . . . . 1.0 109.886 178.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.465 ' HB2' HBB1 ' A' ' 301' ' ' CYC . 14.0 t80 -122.84 119.88 31.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.927 0.394 . . . . 1.0 111.268 -179.121 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.483 ' CG ' ' N ' ' A' ' 56' ' ' PHE . 50.2 ttm-85 -94.33 164.8 12.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.012 -0.54 . . . . 1.0 109.903 -179.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.483 ' N ' ' CG ' ' A' ' 55' ' ' ARG . 82.3 t80 -129.67 145.93 51.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.001 0.429 . . . . 1.0 110.879 -178.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 21.7 t70 -117.41 134.05 23.16 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.336 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -44.15 -29.3 2.76 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 C-N-CA 122.711 2.274 . . . . 1.0 112.049 179.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -73.76 -8.22 55.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.095 -0.502 . . . . 1.0 110.451 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.19 18.5 31.13 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.86 -0.896 . . . . 1.0 110.86 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.474 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 96.2 m-70 -116.12 140.96 48.75 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.843 0.354 . . . . 1.0 110.733 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.435 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -135.22 157.93 23.36 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.567 -1.013 . . . . 1.0 110.567 179.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.51 HG22 HG22 ' A' ' 81' ' ' THR . 81.0 p -139.38 159.3 42.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 1.0 110.739 -178.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.9 t -98.55 114.61 36.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.205 176.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.411 ' O ' ' OD1' ' A' ' 32' ' ' ASP . 12.1 m -101.24 2.79 10.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.829 -177.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.413 ' HB1' ' HB ' ' A' ' 39' ' ' VAL . . . -161.46 148.81 14.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.378 . . . . 1.0 110.904 -179.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.522 ' OE1' ' N ' ' A' ' 78' ' ' LEU . 88.7 tt0 -165.88 125.27 1.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.312 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -121.32 130.74 53.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.799 178.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.514 ' O ' ' NH1' ' A' ' 43' ' ' ARG . 67.8 mtm180 -111.66 140.24 46.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.51 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 49' ' ' ASP . . . -91.15 -111.43 1.65 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.93 -0.868 . . . . 1.0 110.93 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.477 ' O ' ' CB ' ' A' ' 72' ' ' GLU . . . -57.04 -18.64 27.66 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.783 -0.927 . . . . 1.0 110.783 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.477 ' CB ' ' O ' ' A' ' 71' ' ' GLY . 41.6 tt0 79.27 60.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.77 0.319 . . . . 1.0 110.602 179.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.437 ' HG3' ' H ' ' A' ' 74' ' ' LEU . 6.6 ptm180 -87.09 -49.76 7.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.487 178.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.437 ' H ' ' HG3' ' A' ' 73' ' ' ARG . 17.9 mt -99.24 166.54 12.79 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.506 178.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.546 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 4.7 Cg_exo -78.64 174.26 12.55 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.782 2.321 . . . . 1.0 112.066 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 34.5 t -90.19 132.27 35.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.724 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.623 HD11 HH12 ' A' ' 50' ' ' ARG . 37.2 mt -106.42 -11.57 15.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.504 -178.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.522 ' N ' ' OE1' ' A' ' 67' ' ' GLU . 21.3 tp -40.24 135.37 1.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.558 -178.307 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.57 -0.25 67.71 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.901 -0.88 . . . . 1.0 110.901 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.755 HD23 ' N ' ' A' ' 81' ' ' THR . 3.6 tt -94.03 126.27 39.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 1.0 110.516 -179.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.755 ' N ' HD23 ' A' ' 80' ' ' LEU . 2.0 p -95.33 129.48 42.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.547 178.339 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.43 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 23.4 m-85 -104.27 147.71 34.79 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.556 -179.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_endo -79.65 145.37 18.23 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.902 2.401 . . . . 1.0 112.219 178.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.38 -34.21 66.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.65 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -52.28 -25.3 18.6 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.997 -0.841 . . . . 1.0 110.997 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -57.24 -30.23 64.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.834 0.35 . . . . 1.0 110.574 -179.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.565 ' O ' ' O ' ' A' ' 88' ' ' PRO . 38.5 mm -113.47 98.76 47.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.582 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.565 ' O ' ' O ' ' A' ' 87' ' ' ILE . 74.8 Cg_exo -48.81 -127.11 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.858 2.372 . . . . 1.0 112.189 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -148.83 -64.36 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.568 -179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -46.13 -39.72 9.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.574 -178.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.582 ' CB ' HAD2 ' A' ' 301' ' ' CYC . . . -70.21 -49.15 53.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.535 179.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 56.8 ttp180 -60.88 -27.15 67.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.559 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 96' ' ' ARG . 61.7 mtp85 -61.94 -47.29 85.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.473 -178.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.541 ' O ' ' N ' ' A' ' 98' ' ' ALA . 16.6 mt -48.39 -45.4 35.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.538 -179.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.547 ' CZ ' HBA1 ' A' ' 301' ' ' CYC . 56.6 m-85 -63.61 -25.02 68.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.79 178.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 93' ' ' ARG . 48.4 mtp85 -87.85 -22.48 24.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.716 179.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.418 HD21 ' O ' ' A' ' 123' ' ' ALA . 14.0 mt -103.37 -47.6 4.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.2 -178.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.541 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -98.95 -15.19 19.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.433 -175.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.489 ' C ' ' O ' ' A' ' 98' ' ' ALA . 87.0 mt-30 34.57 63.23 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.384 178.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 12.7 t -96.09 -47.09 13.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.828 177.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.71 HH11 HE22 ' A' ' 185' ' ' GLN . 8.1 mtt180 61.1 50.27 5.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.289 173.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.602 ' C ' HD12 ' A' ' 103' ' ' ILE . 71.5 t -152.52 127.16 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.614 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.688 HD12 ' N ' ' A' ' 103' ' ' ILE . 1.9 mp -107.41 136.85 41.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.694 177.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.651 HG12 ' N ' ' A' ' 105' ' ' ASP . 54.9 t -81.88 167.8 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.35 -178.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.651 ' N ' HG12 ' A' ' 104' ' ' VAL . 44.2 m-20 -52.57 121.3 6.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.38 -0.373 . . . . 1.0 110.399 -178.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 9.8 m -58.79 -10.04 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.565 178.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -78.8 -34.87 45.03 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.283 -179.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.37 -10.89 1.53 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.34 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 48.4 59.98 3.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.691 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.541 ' O ' ' O ' ' A' ' 135' ' ' VAL . 2.5 t -86.35 142.4 28.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.359 175.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -121.77 125.6 46.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.797 -178.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.459 ' O ' ' CG ' ' A' ' 136' ' ' ASP . 0.8 OUTLIER -133.75 113.87 12.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.233 178.662 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.889 ' H ' HD13 ' A' ' 113' ' ' ILE . 0.1 OUTLIER -120.38 -172.29 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.762 -179.626 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.404 ' O ' HG12 ' A' ' 113' ' ' ILE . 7.0 t -73.51 173.82 9.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.708 -178.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -140.76 92.81 8.71 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.519 -179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -42.1 -28.04 0.77 Allowed 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.82 2.347 . . . . 1.0 112.223 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.45 ' O ' ' O ' ' A' ' 118' ' ' SER . 44.5 tp10 -65.96 -51.11 61.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.622 179.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.45 ' O ' ' O ' ' A' ' 117' ' ' GLU . 33.7 m 39.29 -162.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.614 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 45.62 44.23 10.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.568 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -57.38 -32.69 64.45 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.507 HD23 ' C ' ' A' ' 121' ' ' LEU . 2.1 tt -165.29 -64.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.885 0.374 . . . . 1.0 110.645 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 32.9 t -150.9 169.4 21.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.524 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.418 ' O ' HD21 ' A' ' 97' ' ' LEU . . . -67.52 -51.61 48.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.556 -179.675 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -104.39 82.46 1.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.514 -179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.615 ' O ' HG23 ' A' ' 125' ' ' VAL . 33.6 m -99.32 112.76 63.96 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.578 179.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 127' ' ' LEU . 75.1 Cg_exo -46.92 125.85 10.4 Favored 'Trans proline' 0 C--N 1.306 -1.693 0 C-N-CA 122.797 2.331 . . . . 1.0 112.129 179.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.433 ' C ' ' O ' ' A' ' 126' ' ' PRO . 44.4 mt 36.4 -118.47 0.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.537 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 57.89 34.61 72.21 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -136.05 160.09 68.54 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.846 0.355 . . . . 1.0 110.625 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.523 ' O ' ' NH2' ' A' ' 133' ' ' ARG . 89.1 Cg_exo -45.2 157.4 0.24 Allowed 'Trans proline' 0 C--N 1.304 -1.768 0 C-N-CA 122.842 2.361 . . . . 1.0 112.209 179.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.661 ' N ' HD12 ' A' ' 131' ' ' LEU . 8.7 mp -80.22 -4.07 51.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.447 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . 0.407 ' NE2' HG21 ' A' ' 104' ' ' VAL . 2.6 pt20 -138.61 160.34 39.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 1.0 110.393 -179.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.589 ' CA ' ' HE ' ' A' ' 133' ' ' ARG . 0.0 OUTLIER -113.2 103.34 55.57 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.663 179.758 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -76.91 142.59 22.42 Favored 'Trans proline' 0 C--N 1.305 -1.763 0 C-N-CA 122.762 2.308 . . . . 1.0 112.02 -178.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.541 ' O ' ' O ' ' A' ' 110' ' ' SER . 16.2 m -100.92 159.43 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.565 -179.018 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.618 ' OD1' ' N ' ' A' ' 136' ' ' ASP . 0.0 OUTLIER -92.27 152.58 42.59 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.472 -179.326 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.556 ' O ' ' CD2' ' A' ' 141' ' ' HIS . 3.4 Cg_endo -45.34 -34.88 10.86 Favored 'Trans proline' 0 C--N 1.305 -1.744 0 C-N-CA 122.859 2.373 . . . . 1.0 111.933 -178.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.671 ' CA ' HBC1 ' A' ' 301' ' ' CYC . 0.1 OUTLIER -66.12 -44.0 85.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.458 177.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.606 ' CE1' HD13 ' A' ' 143' ' ' LEU . 38.3 t-80 -76.13 -32.5 59.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.316 178.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 52.6 t -51.59 -53.85 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.42 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.556 ' CD2' ' O ' ' A' ' 137' ' ' PRO . 11.1 m-70 -62.1 -41.92 98.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.465 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 27.6 t80 -44.41 -48.02 9.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.38 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.606 HD13 ' CE1' ' A' ' 139' ' ' HIS . 7.9 mp -70.11 -49.81 47.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.313 178.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 42.2 tptt -55.34 -41.46 72.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.414 -178.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 21.8 m -53.91 -27.1 28.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.49 179.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 55.4 mtt -90.09 0.77 56.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.476 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 68.45 24.88 75.06 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.936 -0.866 . . . . 1.0 110.936 178.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.574 HG22 ' O ' ' A' ' 150' ' ' SER . 3.7 p -109.69 124.54 66.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 1.0 110.699 178.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -86.62 -33.15 20.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.287 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.574 ' O ' HG22 ' A' ' 148' ' ' VAL . 67.1 m -112.27 152.88 27.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.098 -178.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 3.9 m -150.58 116.23 5.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.013 0.435 . . . . 1.0 111.06 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 47.1 tp -104.13 133.45 49.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.933 -0.576 . . . . 1.0 109.927 178.256 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.427 ' C ' ' CG2' ' A' ' 154' ' ' VAL . 9.8 p -128.65 151.97 36.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.055 0.455 . . . . 1.0 111.175 -178.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.427 ' CG2' ' C ' ' A' ' 153' ' ' VAL . 1.3 t -151.75 78.34 6.82 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 115.655 -0.702 . . . . 1.0 109.977 -179.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -51.82 152.62 13.08 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.862 2.374 . . . . 1.0 112.728 -176.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 28.2 mt -112.54 97.45 6.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.855 -0.611 . . . . 1.0 110.2 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 43.8 mtp -106.93 124.3 49.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.708 -178.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . 0.458 ' CD2' ' HB2' ' A' ' 196' ' ' ALA . 26.1 t-80 -110.99 123.8 50.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.383 176.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.449 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 76.5 t60 69.56 -113.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.357 -177.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . 0.421 ' N ' ' CG ' ' A' ' 159' ' ' HIS . 16.9 tt0 -120.82 4.65 10.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.441 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -117.63 167.93 10.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.598 -177.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 5.8 tt -104.3 121.54 43.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.451 178.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . 0.445 ' CD1' ' N ' ' A' ' 163' ' ' TRP . 25.7 m95 -104.72 -40.89 5.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.867 -176.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -139.64 172.42 23.33 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.28 -0.728 . . . . 1.0 111.28 -178.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 5.6 tp -144.26 128.37 17.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.714 0.293 . . . . 1.0 110.477 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.404 ' O ' HG23 ' A' ' 153' ' ' VAL . 11.7 tp -104.48 135.67 45.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.636 178.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.428 HG11 ' OB ' ' A' ' 301' ' ' CYC . 38.3 t -139.58 138.35 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.732 -178.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . 0.65 ' C ' ' HD1' ' A' ' 169' ' ' HIS . 0.1 OUTLIER -126.69 136.12 52.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.433 178.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . 0.65 ' HD1' ' C ' ' A' ' 168' ' ' SER . 0.7 OUTLIER -134.53 138.55 44.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.951 0.405 . . . . 1.0 110.703 -179.681 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . 0.639 ' CE1' ' HG1' ' A' ' 48' ' ' THR . 1.3 p-80 -170.85 167.41 7.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.492 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.429 ' N ' ' NH1' ' A' ' 73' ' ' ARG . . . -56.39 -170.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.644 178.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -118.43 80.93 16.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.621 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -84.79 -54.9 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.859 2.373 . . . . 1.0 112.092 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -146.94 152.85 44.94 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.563 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.42 174.8 5.74 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.769 2.313 . . . . 1.0 112.101 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . 0.437 ' CD1' ' O ' ' A' ' 176' ' ' TYR . 20.1 p90 -116.82 139.01 51.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.613 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 73.8 p -92.32 147.78 22.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.546 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -66.5 -34.98 79.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.425 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -59.78 -50.23 74.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.401 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -69.44 -31.3 69.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.42 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 30.0 tp -56.77 -36.7 70.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.447 -179.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -68.07 -50.89 52.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.291 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 55.8 t -43.45 -50.89 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.202 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . 0.565 HG11 HD21 ' A' ' 46' ' ' LEU . 29.2 m -73.98 -35.41 42.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.174 -179.088 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.71 HE22 HH11 ' A' ' 101' ' ' ARG . 54.0 tp60 -46.61 -32.95 3.8 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.075 177.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 26.4 tp -74.72 -41.64 59.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.062 178.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 4.1 mt -53.42 -33.17 52.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.018 179.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -76.73 -40.66 47.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.074 179.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -57.62 -39.23 76.44 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.2 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -53.59 -51.81 61.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.101 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 95.2 t -53.67 -42.31 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.085 179.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 2.8 m -49.61 -36.18 23.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.046 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . 0.48 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.6 mp -81.02 -32.87 12.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.147 179.285 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -69.15 -47.28 65.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.236 -178.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 2.2 pp -66.38 -32.55 58.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.247 179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.458 ' HB2' ' CD2' ' A' ' 158' ' ' HIS . . . -74.61 -55.55 5.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.379 178.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -58.81 -25.54 63.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.306 179.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -74.59 -37.04 62.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.485 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 46.0 tp10 -52.17 -37.73 55.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.484 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . 0.621 ' N ' HD12 ' A' ' 200' ' ' LEU . 9.7 mp -59.78 -57.14 14.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.112 -0.494 . . . . 1.0 110.56 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 23.0 t -50.93 -41.85 59.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.488 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 20.4 mt . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.003 -0.998 . . . . 1.0 110.563 179.845 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 301' ' ' CYC . . . . . 0.671 HBC1 ' CA ' ' A' ' 138' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.9 tp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.803 0.335 . . . . 1.0 110.528 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 29.8 p-10 -56.54 -31.96 64.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.619 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -77.57 -47.5 19.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.594 -179.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.584 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.4 mp -63.06 -32.76 57.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.608 -178.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.423 ' O ' HG22 ' A' ' 38' ' ' THR . 95.9 mt -79.22 -21.16 46.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.561 -179.215 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.507 ' O ' HG12 ' A' ' 39' ' ' VAL . 20.6 ttm180 -75.13 -34.05 61.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.543 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -84.35 -29.85 25.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.677 -178.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.533 ' CG2' ' N ' ' A' ' 39' ' ' VAL . 2.6 t -74.4 -42.76 58.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.607 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.533 ' N ' ' CG2' ' A' ' 38' ' ' THR . 6.3 p -56.3 -39.89 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.642 -179.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.468 ' N ' HG13 ' A' ' 39' ' ' VAL . 23.0 pt-20 -77.94 -33.28 51.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.551 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -60.42 -44.45 95.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.503 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.76 -44.52 96.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.453 179.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.564 ' O ' ' N ' ' A' ' 47' ' ' GLY . 55.3 ttp85 -47.83 -45.14 29.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.565 179.609 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.05 -38.12 81.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.519 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -76.41 -52.57 9.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.469 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.572 ' O ' ' N ' ' A' ' 48' ' ' THR . 10.9 mp -78.93 -4.37 49.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.541 179.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 41.05 19.76 0.03 OUTLIER Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.0 -0.84 . . . . 1.0 111.0 178.425 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.572 ' N ' ' O ' ' A' ' 46' ' ' LEU . 0.2 OUTLIER -73.69 140.92 46.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.765 0.317 . . . . 1.0 110.644 179.617 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.444 ' O ' ' HA ' ' A' ' 69' ' ' ARG . 96.1 m-20 -48.28 -45.56 34.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.564 -176.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -142.59 140.1 31.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.998 0.428 . . . . 1.0 111.011 -175.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.45 HG13 HG21 ' A' ' 48' ' ' THR . 0.0 OUTLIER -146.1 135.28 17.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.891 -0.595 . . . . 1.0 109.843 175.756 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -142.78 155.45 44.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.97 0.414 . . . . 1.0 111.289 -179.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.734 HG12 ' HB3' ' A' ' 66' ' ' ALA . 9.6 p -103.55 137.45 31.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.747 -0.661 . . . . 1.0 109.843 178.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.642 ' HB2' HBB1 ' A' ' 301' ' ' CYC . 15.6 t80 -120.01 118.96 32.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.939 0.4 . . . . 1.0 111.231 -178.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -94.47 165.33 12.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.008 -0.542 . . . . 1.0 109.929 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.518 ' CE2' ' O ' ' A' ' 57' ' ' ASP . 77.3 t80 -130.21 145.14 51.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.95 0.405 . . . . 1.0 110.835 -178.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.518 ' O ' ' CE2' ' A' ' 56' ' ' PHE . 1.2 m-20 -115.12 148.12 39.93 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.238 179.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.01 -21.89 60.86 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.713 2.276 . . . . 1.0 112.036 -178.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' A' ' 59' ' ' GLU . 58.4 mp0 -79.81 -5.99 56.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.49 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 100.08 -12.12 60.48 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.784 -0.926 . . . . 1.0 110.784 178.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -84.2 141.95 30.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.879 0.371 . . . . 1.0 110.758 -179.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -131.2 151.74 19.78 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.59 -1.004 . . . . 1.0 110.59 179.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.41 HG22 HG22 ' A' ' 81' ' ' THR . 77.9 p -136.46 156.73 48.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 1.0 110.778 -177.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 12.4 t -101.31 118.75 48.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.256 175.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.6 m -105.18 2.39 10.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.858 -175.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.734 ' HB3' HG12 ' A' ' 53' ' ' VAL . . . -157.14 147.47 21.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.91 0.386 . . . . 1.0 110.927 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.493 ' CD ' ' H ' ' A' ' 77' ' ' LEU . 55.3 tt0 -166.47 124.09 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.235 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.479 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -129.74 147.7 51.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.794 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.444 ' HA ' ' O ' ' A' ' 49' ' ' ASP . 5.1 ptp85 -145.09 149.98 36.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.493 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.45 ' C ' ' H ' ' A' ' 72' ' ' GLU . . . -101.88 -99.98 2.46 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.831 -0.908 . . . . 1.0 110.831 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -50.89 -10.58 0.44 Allowed Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.45 ' H ' ' C ' ' A' ' 70' ' ' GLY . 70.0 tt0 62.8 57.18 1.78 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.321 . . . . 1.0 110.625 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 48.0 ttm-85 -80.78 -56.81 3.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.526 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 27.9 mt -89.87 164.5 28.35 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.486 178.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -81.11 171.97 13.42 Favored 'Trans proline' 0 C--N 1.304 -1.764 0 C-N-CA 122.763 2.309 . . . . 1.0 112.018 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 51.9 p -90.88 133.42 35.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.658 179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.493 ' H ' ' CD ' ' A' ' 67' ' ' GLU . 28.1 mt -109.71 -9.98 14.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.453 -179.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.5 tp -42.05 136.5 2.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.572 -177.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.35 -2.68 78.56 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.861 -0.896 . . . . 1.0 110.861 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 24.3 tp -91.04 127.94 36.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 1.0 110.578 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.41 HG22 HG22 ' A' ' 63' ' ' THR . 3.0 p -98.95 128.36 45.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.611 178.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 13.8 m-85 -96.65 140.37 22.12 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.539 -179.183 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.37 144.0 22.59 Favored 'Trans proline' 0 C--N 1.305 -1.72 0 C-N-CA 122.795 2.33 . . . . 1.0 112.194 178.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.22 -41.45 75.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.619 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -50.0 -25.27 7.32 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.026 -0.829 . . . . 1.0 111.026 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.489 ' OD2' HMB3 ' A' ' 301' ' ' CYC . 64.4 t0 -56.81 -30.73 64.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.832 0.349 . . . . 1.0 110.562 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.588 ' O ' ' O ' ' A' ' 88' ' ' PRO . 9.2 mt -120.07 97.2 49.39 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.465 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.588 ' O ' ' O ' ' A' ' 87' ' ' ILE . 86.6 Cg_exo -43.14 -116.33 0.0 OUTLIER 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.82 2.346 . . . . 1.0 112.18 -179.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.417 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 13.7 tm-20 -158.1 -41.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.521 -179.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 91' ' ' ALA . 21.3 pt-20 -64.92 -43.43 92.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.568 -179.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.465 ' HB1' HBA1 ' A' ' 301' ' ' CYC . . . -60.4 -32.36 71.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.595 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -69.1 -22.46 63.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.652 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 97' ' ' LEU . 18.8 mmm180 -55.43 -58.12 9.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.514 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.684 ' O ' ' HB3' ' A' ' 98' ' ' ALA . 48.5 mt -54.08 -36.98 63.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.505 179.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -68.38 -29.41 68.11 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.736 178.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.476 ' HE ' ' HA ' ' A' ' 96' ' ' ARG . 0.3 OUTLIER -89.56 -26.17 20.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.613 179.464 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 93' ' ' ARG . 10.8 mp -103.1 -41.63 6.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.262 -178.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.684 ' HB3' ' O ' ' A' ' 94' ' ' LEU . . . -90.87 -24.06 20.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.98 -0.555 . . . . 1.0 110.52 -178.51 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.48 ' C ' ' O ' ' A' ' 98' ' ' ALA . 94.9 mt-30 34.23 63.48 0.42 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.305 179.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.573 HG23 ' N ' ' A' ' 101' ' ' ARG . 23.2 m -111.03 -45.46 5.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.793 177.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.616 ' C ' HG13 ' A' ' 153' ' ' VAL . 6.7 mpt_? 52.94 61.59 3.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.288 176.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.587 ' C ' HD12 ' A' ' 103' ' ' ILE . 39.7 t -149.26 127.38 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.613 179.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.641 HD12 ' N ' ' A' ' 103' ' ' ILE . 1.8 mp -106.68 129.55 60.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.752 178.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.554 HG12 ' H ' ' A' ' 105' ' ' ASP . 4.7 t -84.31 168.93 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.32 -178.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.554 ' H ' HG12 ' A' ' 104' ' ' VAL . 28.9 t0 -58.39 119.3 6.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.452 -178.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 106' ' ' VAL . 11.3 p -51.92 -10.68 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.567 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.691 ' C ' ' H ' ' A' ' 109' ' ' GLN . 0.8 OUTLIER -93.35 -27.56 16.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.332 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.462 ' O ' ' HB2' ' A' ' 109' ' ' GLN . . . -63.16 23.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.066 -0.516 . . . . 1.0 110.312 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.691 ' H ' ' C ' ' A' ' 107' ' ' GLU . 78.1 mt-30 73.03 49.88 0.15 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.7 177.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 11.5 t -86.36 115.99 24.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.439 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 54.3 mtp85 -152.72 106.77 3.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.811 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.413 ' C ' HG23 ' A' ' 113' ' ' ILE . 2.1 t -106.0 153.49 21.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.142 179.457 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.413 HG23 ' C ' ' A' ' 112' ' ' SER . 31.5 pt -154.34 159.27 3.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.737 -179.104 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.6 t -82.31 170.73 15.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.671 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -143.81 146.8 36.14 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.477 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.01 -21.66 27.4 Favored 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.854 2.369 . . . . 1.0 112.156 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.48 ' O ' ' CB ' ' A' ' 118' ' ' SER . 77.5 mm-40 -62.07 -31.64 72.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.585 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 117' ' ' GLU . 1.8 p 79.17 -174.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.647 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 35.4 p90 -142.83 170.44 15.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.571 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.481 ' O ' ' N ' ' A' ' 122' ' ' SER . . . -177.51 -91.8 0.08 OUTLIER Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.544 ' C ' ' H ' ' A' ' 123' ' ' ALA . 25.7 mt 60.42 -78.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.778 0.323 . . . . 1.0 110.558 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.481 ' N ' ' O ' ' A' ' 120' ' ' GLY . 14.1 t 51.92 6.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.551 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.544 ' H ' ' C ' ' A' ' 121' ' ' LEU . . . -79.68 -11.51 59.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.54 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 62.58 76.18 0.37 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.529 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 7.4 t -96.99 112.6 61.1 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.538 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -45.55 125.75 7.95 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 122.814 2.343 . . . . 1.0 112.086 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 22.3 mt 39.79 -149.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.64 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 93.62 -11.03 72.02 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.905 -0.878 . . . . 1.0 110.905 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.518 ' N ' ' CD ' ' A' ' 129' ' ' GLU . 0.0 OUTLIER -91.9 160.14 36.56 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.98 0.419 . . . . 1.0 110.576 179.699 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -49.15 160.38 0.82 Allowed 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.859 2.373 . . . . 1.0 112.115 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.669 ' N ' HD12 ' A' ' 131' ' ' LEU . 8.5 mp -78.85 1.35 23.71 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.309 -0.405 . . . . 1.0 110.502 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -139.65 161.77 36.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.046 -0.525 . . . . 1.0 110.419 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.517 ' CZ ' ' O ' ' A' ' 134' ' ' PRO . 0.0 OUTLIER -120.97 86.56 42.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.589 -179.611 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . 0.517 ' O ' ' CZ ' ' A' ' 133' ' ' ARG . 32.2 Cg_exo -56.43 142.84 88.72 Favored 'Trans proline' 0 C--N 1.305 -1.76 0 C-N-CA 122.763 2.309 . . . . 1.0 111.98 178.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.562 HG12 HBD1 ' A' ' 301' ' ' CYC . 0.0 OUTLIER -125.69 133.54 68.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.506 -179.42 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.515 ' HB2' HBD2 ' A' ' 301' ' ' CYC . 33.5 m-20 -45.31 155.16 0.45 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.441 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo -48.14 -11.27 0.12 Allowed 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.799 2.333 . . . . 1.0 111.939 178.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.428 ' N ' ' O ' ' A' ' 136' ' ' ASP . 0.0 OUTLIER -59.08 -41.95 89.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.374 178.912 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.543 ' NE2' HG23 ' A' ' 135' ' ' VAL . 0.2 OUTLIER -81.58 -28.81 33.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.292 -179.177 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.411 ' N ' ' CD2' ' A' ' 139' ' ' HIS . 22.5 t -48.72 -64.68 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.533 -179.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.564 ' O ' ' N ' ' A' ' 145' ' ' SER . 83.2 t60 -61.18 -40.79 95.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.409 177.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . 0.411 ' CE2' ' CE ' ' A' ' 146' ' ' MET . 7.7 t80 -51.59 -60.89 2.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.405 178.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . . . . . . . . . 6.9 mp -61.45 -53.65 53.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.369 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 147' ' ' GLY . 2.8 tmtt? -55.87 -40.83 73.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.47 179.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.564 ' N ' ' O ' ' A' ' 141' ' ' HIS . 14.5 t -54.53 -31.92 57.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.473 179.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . 0.411 ' CE ' ' CE2' ' A' ' 142' ' ' TYR . 6.0 mtt -85.3 -4.63 59.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.443 176.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . 0.412 ' N ' ' O ' ' A' ' 144' ' ' LYS . . . 76.59 26.64 62.7 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 170' ' ' HIS . 16.8 t -108.55 110.82 33.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.797 0.332 . . . . 1.0 110.695 179.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -72.57 -30.93 64.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.26 -179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.503 ' CB ' ' OE1' ' A' ' 172' ' ' GLU . 28.3 m -144.47 121.38 11.33 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.141 -179.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 13.9 p -115.3 130.67 56.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.976 0.417 . . . . 1.0 111.072 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 29.3 tp -100.26 115.63 30.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.978 -0.555 . . . . 1.0 109.919 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.616 HG13 ' C ' ' A' ' 101' ' ' ARG . 2.5 p -106.27 157.29 6.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.055 0.455 . . . . 1.0 111.265 -179.187 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.478 ' N ' HG22 ' A' ' 153' ' ' VAL . 93.7 t -153.64 126.58 4.1 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 115.762 -0.654 . . . . 1.0 109.986 -178.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -89.36 151.19 5.45 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 122.931 2.421 . . . . 1.0 112.649 -174.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 24.3 mt -117.15 96.52 5.47 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.829 -0.623 . . . . 1.0 110.248 176.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 49.8 mtp -105.57 127.41 53.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.776 -176.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . 0.586 ' CD2' ' CB ' ' A' ' 196' ' ' ALA . 16.6 t-80 -120.75 121.92 39.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.361 175.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.503 ' HB3' ' O ' ' A' ' 158' ' ' HIS . 59.3 t60 78.26 -119.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.4 -176.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -121.1 3.56 10.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.402 179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -119.33 167.68 11.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.565 -178.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . . . . . . . . . 14.1 tp -101.96 121.52 42.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.492 178.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . 0.511 ' CD1' ' N ' ' A' ' 163' ' ' TRP . 19.5 m95 -103.04 -42.78 5.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.826 -177.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -140.45 176.13 21.59 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.226 -0.75 . . . . 1.0 111.226 -178.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 3.6 tp -147.91 127.75 13.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.83 0.348 . . . . 1.0 110.469 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 154' ' ' VAL . 60.5 tp -98.87 140.1 33.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.373 -0.376 . . . . 1.0 110.557 178.176 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . . . . . . . . . 5.4 t -143.93 144.25 23.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.688 -176.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 4.3 m -126.67 144.2 50.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.41 177.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -126.78 130.28 49.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.312 -0.403 . . . . 1.0 110.71 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . 0.442 ' O ' HG13 ' A' ' 148' ' ' VAL . 1.5 p-80 -171.73 166.04 6.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.555 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -62.55 -155.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.602 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . 0.503 ' OE1' ' CB ' ' A' ' 150' ' ' SER . 24.1 tp10 -124.46 78.49 62.05 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.585 179.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -84.67 -52.09 0.03 OUTLIER 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.833 2.355 . . . . 1.0 112.063 179.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -147.69 151.26 38.68 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.514 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.31 177.42 3.21 Favored 'Trans proline' 0 C--N 1.306 -1.708 0 C-N-CA 122.764 2.309 . . . . 1.0 112.048 179.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -109.2 115.63 30.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.596 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 46.4 m -69.32 144.37 53.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.572 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -66.23 -39.72 89.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.535 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -64.43 -54.47 32.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.502 -179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -65.26 -33.08 75.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.427 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 25.3 tp -57.52 -42.45 82.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.446 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -60.34 -48.54 81.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.344 -179.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 54.0 t -42.64 -49.76 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.103 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 91.1 t -72.92 -38.15 55.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.217 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -46.88 -33.97 5.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.095 178.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 10.7 mp -74.09 -41.23 61.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.092 178.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 187' ' ' LEU . 93.5 mt -53.87 -30.83 47.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.033 -0.531 . . . . 1.0 110.066 178.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -74.24 -38.91 63.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.061 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 86.7 m-20 -59.15 -40.14 84.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.171 179.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -52.54 -54.33 34.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.113 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 81.9 t -54.89 -41.01 55.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.026 -0.534 . . . . 1.0 110.155 178.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 3.9 t -48.85 -36.0 15.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.16 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . 0.441 HD12 ' N ' ' A' ' 193' ' ' ILE . 1.7 mp -79.16 -32.77 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.969 -0.559 . . . . 1.0 110.074 179.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -70.5 -47.66 59.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.282 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 17.7 tt -64.23 -35.17 73.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.181 179.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.586 ' CB ' ' CD2' ' A' ' 158' ' ' HIS . . . -76.32 -55.72 5.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.346 178.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -56.11 -25.11 44.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.399 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -75.37 -35.43 61.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.463 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -52.5 -39.42 61.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.444 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . 0.547 ' C ' HD23 ' A' ' 200' ' ' LEU . 2.8 tt -54.31 -64.65 0.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.474 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 87.3 p -63.23 -47.44 82.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.466 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 11.6 tp . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.01 -0.995 . . . . 1.0 110.599 179.779 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 301' ' ' CYC . . . . . 0.642 HBB1 ' HB2' ' A' ' 54' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 64.3 tp . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.841 0.353 . . . . 1.0 110.556 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -55.27 -34.53 64.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.568 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -74.15 -49.4 23.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.54 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.869 ' O ' HG23 ' A' ' 38' ' ' THR . 1.4 mp -60.44 -31.39 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.577 -178.277 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 92.7 mt -74.75 -25.88 59.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.598 -177.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.501 ' O ' HG12 ' A' ' 39' ' ' VAL . 86.3 mtt180 -66.4 -35.73 81.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.621 178.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -80.22 -26.37 39.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.657 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.869 HG23 ' O ' ' A' ' 34' ' ' ILE . 43.3 p -76.84 -46.12 25.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.586 179.175 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.557 HG13 ' HB2' ' A' ' 68' ' ' ALA . 3.8 p -54.53 -36.5 35.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.65 -178.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.414 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 22.2 pt-20 -78.39 -32.17 48.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.575 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -63.7 -52.18 61.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.465 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.549 HG13 ' N ' ' A' ' 43' ' ' ARG . 7.2 p -61.63 -44.75 99.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.567 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.568 ' HE ' ' C ' ' A' ' 43' ' ' ARG . 1.6 tmm_? -47.91 -45.95 31.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.513 179.031 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.472 ' N ' ' HE ' ' A' ' 43' ' ' ARG . . . -58.97 -35.29 72.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.59 179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -76.25 -51.91 11.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.5 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.624 ' N ' HD12 ' A' ' 46' ' ' LEU . 8.9 mp -79.97 -1.85 41.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.561 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 42.62 22.2 0.13 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 177.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.606 HG22 ' H ' ' A' ' 50' ' ' ARG . 1.2 m -75.71 137.07 40.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.845 0.355 . . . . 1.0 110.5 179.146 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.562 ' OD1' ' N ' ' A' ' 50' ' ' ARG . 30.8 p-10 -68.03 -20.24 64.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.603 -176.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.606 ' H ' HG22 ' A' ' 48' ' ' THR . 24.9 ttm180 -147.99 118.1 7.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.99 0.424 . . . . 1.0 111.011 -178.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.5 p -147.14 135.2 15.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.851 -0.613 . . . . 1.0 109.883 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.441 ' HE3' HAB2 ' A' ' 301' ' ' CYC . 45.9 pttt -145.86 156.3 43.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.99 0.424 . . . . 1.0 111.256 -177.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.702 HG12 ' HB3' ' A' ' 66' ' ' ALA . 9.9 p -95.87 138.5 21.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.691 -0.686 . . . . 1.0 109.839 177.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.817 ' CD1' HBB1 ' A' ' 301' ' ' CYC . 68.1 t80 -123.21 119.18 29.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.887 0.375 . . . . 1.0 111.236 -177.005 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -94.94 162.67 13.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.96 -0.564 . . . . 1.0 109.92 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -129.83 144.78 51.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.912 0.387 . . . . 1.0 110.897 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' A' ' 61' ' ' HIS . 21.3 t70 -115.04 133.82 22.61 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.301 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -44.33 -29.53 3.11 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.638 2.226 . . . . 1.0 112.051 179.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -73.02 -8.72 57.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.436 -178.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.68 20.11 25.32 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.788 -0.925 . . . . 1.0 110.788 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.505 ' O ' ' N ' ' A' ' 57' ' ' ASP . 79.7 m80 -119.54 143.82 47.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 1.0 110.706 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.425 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -139.08 161.21 25.94 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.665 -0.974 . . . . 1.0 110.665 178.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 76.9 p -140.28 160.57 39.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.827 0.346 . . . . 1.0 110.763 -177.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 6.9 t -100.2 115.16 40.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.165 176.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.8 m -105.93 2.04 10.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.88 -176.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.702 ' HB3' HG12 ' A' ' 53' ' ' VAL . . . -159.31 148.12 18.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.879 0.371 . . . . 1.0 110.869 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -166.11 125.33 1.6 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.191 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.557 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -127.59 152.81 47.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.871 179.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.535 ' C ' HH11 ' A' ' 43' ' ' ARG . 35.2 ptt-85 -139.84 145.12 37.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.476 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -91.69 13.68 66.07 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.914 -0.875 . . . . 1.0 110.914 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -173.02 -120.3 0.56 Allowed Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.789 -0.924 . . . . 1.0 110.789 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -175.66 50.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.768 0.318 . . . . 1.0 110.561 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 52.2 ttm-85 -79.96 -57.77 3.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.518 179.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.404 ' CB ' ' NH2' ' A' ' 50' ' ' ARG . 12.3 mt -97.05 166.68 13.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.515 178.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.518 ' O ' ' NH2' ' A' ' 50' ' ' ARG . 2.9 Cg_exo -77.49 174.84 12.07 Favored 'Trans proline' 0 C--N 1.305 -1.746 0 C-N-CA 122.703 2.268 . . . . 1.0 112.064 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 50.9 m -95.53 140.33 30.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.722 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.551 HD11 ' NH1' ' A' ' 50' ' ' ARG . 43.4 mt -110.86 -12.79 14.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.438 -179.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 21.9 tp -43.38 137.97 2.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.553 -178.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 93.02 0.11 68.66 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.857 -0.897 . . . . 1.0 110.857 179.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.825 HD23 ' N ' ' A' ' 81' ' ' THR . 2.7 tt -99.79 130.01 45.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 1.0 110.576 -179.548 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.825 ' N ' HD23 ' A' ' 80' ' ' LEU . 12.9 t -96.98 132.54 42.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.641 178.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' A' ' 82' ' ' PHE . 23.2 m-85 -106.76 149.22 38.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.555 -179.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -80.42 147.63 18.06 Favored 'Trans proline' 0 C--N 1.306 -1.704 0 C-N-CA 122.868 2.379 . . . . 1.0 112.121 177.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.22 -32.34 72.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.702 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -51.47 -24.91 12.15 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -60.28 -29.3 68.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.805 0.336 . . . . 1.0 110.602 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.62 ' O ' ' O ' ' A' ' 88' ' ' PRO . 86.9 mt -114.52 93.06 30.87 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.553 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.62 ' O ' ' O ' ' A' ' 87' ' ' ILE . 83.6 Cg_exo -43.81 -120.69 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.707 0 C-N-CA 122.827 2.352 . . . . 1.0 112.198 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -154.66 -60.78 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.612 -179.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.4 ' CG ' ' N ' ' A' ' 91' ' ' ALA . 11.2 pt-20 -45.85 -40.6 10.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.56 -178.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.4 ' N ' ' CG ' ' A' ' 90' ' ' GLU . . . -66.5 -44.91 81.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.571 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.593 HH21 ' CG2' ' A' ' 87' ' ' ILE . 39.1 ttm180 -60.16 -24.76 65.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.536 -178.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.404 ' O ' ' N ' ' A' ' 96' ' ' ARG . 97.2 mtt180 -60.52 -51.85 67.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.475 -178.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.608 ' O ' ' N ' ' A' ' 98' ' ' ALA . 28.4 mt -47.29 -43.97 22.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.465 -179.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.424 ' CD1' ' N ' ' A' ' 95' ' ' PHE . 32.6 m-85 -67.06 -25.01 66.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.756 179.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.479 ' C ' HD12 ' A' ' 97' ' ' LEU . 50.1 mtp180 -88.58 -25.61 22.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.7 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.479 HD12 ' C ' ' A' ' 96' ' ' ARG . 10.3 mp -104.99 -46.42 4.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 1.0 110.193 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.608 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -93.62 -18.28 22.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.43 -177.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.488 ' C ' ' O ' ' A' ' 98' ' ' ALA . 86.9 mt-30 34.4 63.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.266 178.149 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.562 HG23 ' N ' ' A' ' 101' ' ' ARG . 25.3 m -103.23 -45.13 10.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.856 176.134 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.562 ' N ' HG23 ' A' ' 100' ' ' VAL . 0.6 OUTLIER 58.95 56.75 3.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.374 -0.375 . . . . 1.0 110.273 173.352 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.625 ' C ' HD12 ' A' ' 103' ' ' ILE . 15.4 m -154.21 129.1 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.609 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.625 HD12 ' C ' ' A' ' 102' ' ' VAL . 1.7 mp -108.36 137.74 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.712 177.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.668 HG22 ' N ' ' A' ' 105' ' ' ASP . 11.2 p -79.54 168.63 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.298 -177.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.668 ' N ' HG22 ' A' ' 104' ' ' VAL . 28.1 m-20 -48.75 123.74 7.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.414 -0.357 . . . . 1.0 110.461 -178.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.404 ' CG2' HG13 ' A' ' 140' ' ' VAL . 9.8 p -60.65 -12.68 5.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.507 179.153 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -77.06 -32.57 56.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.302 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.39 -8.47 1.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.292 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 45.95 61.36 2.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.704 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.411 ' O ' ' O ' ' A' ' 135' ' ' VAL . 17.9 p -86.28 140.11 30.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.386 175.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -122.81 131.65 53.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.841 -177.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.535 ' H ' ' HA ' ' A' ' 136' ' ' ASP . 10.8 t -140.86 117.82 11.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.187 178.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 40.0 pt -120.31 -167.12 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.768 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.1 t -76.37 172.43 12.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.672 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 37.2 mm-40 -140.91 150.18 58.63 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.425 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.25 -32.98 9.78 Favored 'Trans proline' 0 C--N 1.306 -1.709 0 C-N-CA 122.838 2.358 . . . . 1.0 112.243 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.531 ' O ' ' N ' ' A' ' 119' ' ' TRP . 14.2 mm-40 -63.92 -40.18 95.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.582 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.7 t 40.69 21.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.642 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . 0.541 ' CD1' ' N ' ' A' ' 120' ' ' GLY . 71.2 t-105 -149.28 174.52 12.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.543 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.541 ' N ' ' CD1' ' A' ' 119' ' ' TRP . . . -156.63 -177.05 29.4 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 43.3 mt -57.16 -38.64 73.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.854 0.359 . . . . 1.0 110.602 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 36.3 m -142.96 151.19 40.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.418 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.89 -61.09 1.92 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.562 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 68.5 ttp85 -102.63 82.25 2.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.567 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.634 ' O ' HG13 ' A' ' 125' ' ' VAL . 9.4 p -99.18 111.98 62.17 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.501 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -46.5 129.61 13.86 Favored 'Trans proline' 0 C--N 1.306 -1.695 0 C-N-CA 122.785 2.323 . . . . 1.0 112.149 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' A' ' 129' ' ' GLU . 8.1 tp 40.91 -115.01 0.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.62 -179.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 61.2 -0.29 1.33 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.95 -0.86 . . . . 1.0 110.95 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.484 ' H ' ' C ' ' A' ' 127' ' ' LEU . 40.1 mm-40 -103.89 155.71 36.67 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 120.818 0.342 . . . . 1.0 110.651 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -46.32 154.49 0.87 Allowed 'Trans proline' 0 C--N 1.303 -1.838 0 C-N-CA 122.897 2.398 . . . . 1.0 112.092 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.4 tp -71.38 -2.16 15.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.432 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -138.61 163.53 31.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.464 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.565 ' NE ' HD13 ' A' ' 94' ' ' LEU . 9.1 mmp_? -116.86 108.91 43.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.733 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -79.85 140.69 14.67 Favored 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.709 2.273 . . . . 1.0 111.926 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.883 HG21 ' ND1' ' A' ' 139' ' ' HIS . 35.8 m -124.55 133.24 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.536 -177.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.535 ' HA ' ' H ' ' A' ' 112' ' ' SER . 0.1 OUTLIER -43.29 159.85 0.22 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.452 179.195 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_endo -55.07 -48.72 19.51 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.857 2.371 . . . . 1.0 111.929 -179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.506 ' SG ' ' CHD' ' A' ' 301' ' ' CYC . 0.5 OUTLIER -46.83 -26.14 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.415 -179.804 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.883 ' ND1' HG21 ' A' ' 135' ' ' VAL . 35.9 t-80 -87.48 -40.52 14.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.282 177.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.404 HG13 ' CG2' ' A' ' 106' ' ' VAL . 66.8 t -48.38 -47.21 14.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.028 -0.533 . . . . 1.0 110.531 178.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.518 ' CD2' ' OG ' ' A' ' 145' ' ' SER . 84.1 t60 -65.77 -39.35 90.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.347 178.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -46.9 -55.61 7.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.436 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 143' ' ' LEU . 94.0 mt -66.39 -50.38 63.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.415 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -56.87 -40.56 76.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.494 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . 0.518 ' OG ' ' CD2' ' A' ' 141' ' ' HIS . 45.6 m -54.1 -27.35 32.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.495 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 47.5 mtt -89.68 2.75 54.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.395 178.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 66.53 22.41 71.44 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.911 -0.876 . . . . 1.0 110.911 179.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.539 HG12 ' O ' ' A' ' 150' ' ' SER . 3.2 t -107.51 119.23 56.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.678 0.275 . . . . 1.0 110.718 178.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -78.89 -34.64 44.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.274 -178.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . 0.539 ' O ' HG12 ' A' ' 148' ' ' VAL . 96.0 p -107.57 150.7 26.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.105 -177.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 1.4 t -146.94 104.21 3.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.928 0.394 . . . . 1.0 111.092 179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 55.6 tp -97.28 132.43 43.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.993 -0.549 . . . . 1.0 109.985 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.524 HG22 ' HD3' ' A' ' 155' ' ' PRO . 8.5 p -128.44 151.4 35.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.035 0.445 . . . . 1.0 111.227 -179.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.426 ' O ' ' HB3' ' A' ' 166' ' ' LEU . 48.1 t -152.9 74.63 6.97 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.756 -0.657 . . . . 1.0 109.933 -178.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . 0.524 ' HD3' HG22 ' A' ' 153' ' ' VAL . 53.9 Cg_exo -48.7 157.67 1.43 Allowed 'Trans proline' 0 C--N 1.304 -1.773 0 C-N-CA 122.915 2.41 . . . . 1.0 112.703 -179.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 25.8 mt -117.19 101.05 8.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.913 -0.585 . . . . 1.0 110.199 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 35.3 mtp -106.31 125.35 50.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.776 -178.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . 0.425 ' HB3' ' CD1' ' A' ' 163' ' ' TRP . 12.0 t60 -106.78 122.53 46.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.386 177.186 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.442 ' CG ' ' N ' ' A' ' 160' ' ' GLN . 84.1 t60 59.69 -104.44 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.288 -0.414 . . . . 1.0 110.376 -178.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . 0.442 ' N ' ' CG ' ' A' ' 159' ' ' HIS . 1.4 tt0 -121.48 1.85 10.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.451 -179.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 162' ' ' LEU . 32.5 tp10 -117.51 158.51 24.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.602 -176.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.433 ' N ' ' HG3' ' A' ' 161' ' ' GLU . 6.1 tt -103.44 122.5 45.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.084 -0.507 . . . . 1.0 110.472 177.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . 0.425 ' CD1' ' HB3' ' A' ' 158' ' ' HIS . 74.2 m95 -106.31 -40.9 5.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.888 -176.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -136.82 173.3 22.19 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.177 -0.769 . . . . 1.0 111.177 -177.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . 0.404 ' N ' ' O ' ' A' ' 54' ' ' TYR . 11.1 tp -145.41 118.56 8.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.34 . . . . 1.0 110.386 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.426 ' HB3' ' O ' ' A' ' 154' ' ' VAL . 29.5 tp -96.58 140.19 31.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.516 178.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.576 HG11 ' OB ' ' A' ' 301' ' ' CYC . 7.3 p -146.21 141.21 21.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.672 -177.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.47 143.95 51.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.431 178.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . 0.629 ' ND1' ' N ' ' A' ' 169' ' ' HIS . 0.0 OUTLIER -146.82 140.47 25.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.76 -179.462 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . 0.748 ' CD2' ' H ' ' A' ' 171' ' ' ALA . 11.0 t-80 -172.03 164.35 6.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.467 -179.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.748 ' H ' ' CD2' ' A' ' 170' ' ' HIS . . . -47.9 171.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.619 177.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -59.96 107.52 1.05 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.594 -178.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . 0.412 ' HD3' ' O ' ' A' ' 171' ' ' ALA . 75.4 Cg_endo -93.13 -97.98 0.0 OUTLIER 'Trans proline' 0 C--N 1.306 -1.675 0 C-N-CA 122.871 2.381 . . . . 1.0 112.045 178.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.543 ' NE ' ' O ' ' A' ' 175' ' ' PRO . 0.0 OUTLIER -154.84 157.53 32.02 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.517 179.365 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . 0.543 ' O ' ' NE ' ' A' ' 174' ' ' ARG . 54.5 Cg_exo -49.98 165.54 0.32 Allowed 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.839 2.359 . . . . 1.0 111.99 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -109.99 130.42 55.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.596 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 56.2 p -95.94 149.47 21.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.548 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -65.15 -36.34 83.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.55 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -64.37 -56.13 16.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.504 -179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.42 -32.41 74.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.47 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 26.2 tp -57.62 -40.39 79.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.341 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -63.58 -48.63 76.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.384 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . . . . . . . . . 47.9 t -42.77 -53.5 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.146 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . 0.406 HG12 ' H ' ' A' ' 184' ' ' VAL . 4.8 p -74.36 -35.42 39.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.035 -0.53 . . . . 1.0 110.154 -178.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -48.04 -40.01 21.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.061 178.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 19.9 tp -73.34 -34.61 65.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.038 178.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 14.6 tp -56.03 -32.38 63.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.08 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -74.18 -39.44 63.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.113 178.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -56.19 -38.9 71.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.217 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -54.48 -54.43 41.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.188 178.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 86.5 t -55.99 -43.06 73.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.141 178.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . . . . . . . . . 3.8 m -49.44 -33.74 14.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.179 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 71.7 mt -80.93 -32.65 12.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.118 178.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . 0.421 ' O ' ' HB2' ' A' ' 198' ' ' ALA . . . -70.69 -46.43 63.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.025 -0.534 . . . . 1.0 110.255 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 8.5 tp -65.03 -35.06 74.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.173 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.404 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -75.55 -56.64 4.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.365 179.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -58.04 -25.57 61.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.378 179.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . 0.421 ' HB2' ' O ' ' A' ' 194' ' ' ALA . . . -74.82 -36.76 62.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.382 -179.636 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -52.78 -38.41 61.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.396 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 47.3 tp -58.29 -60.2 4.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.441 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 89.4 p -64.75 -48.39 74.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.496 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . . . . . . . . . 8.9 tp . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.027 -0.987 . . . . 1.0 110.563 179.744 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 301' ' ' CYC . . . . . 0.817 HBB1 ' CD1' ' A' ' 54' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.629 HD12 ' N ' ' A' ' 31' ' ' LEU . 7.6 mp . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.801 0.334 . . . . 1.0 110.547 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.429 ' OD1' HG11 ' A' ' 65' ' ' VAL . 84.2 m-20 -55.3 -32.98 62.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.579 -179.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -77.64 -54.39 6.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.49 -179.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.682 HD13 ' O ' ' A' ' 34' ' ' ILE . 0.3 OUTLIER -59.94 -30.18 44.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.563 -177.892 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.497 ' O ' ' OG1' ' A' ' 38' ' ' THR . 83.2 mt -73.85 -33.35 64.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.646 -178.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -55.42 -36.91 66.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.546 179.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -76.86 -25.73 53.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.585 179.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 34' ' ' ILE . 68.9 p -73.69 -43.87 58.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.616 178.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.588 HG21 ' HB3' ' A' ' 66' ' ' ALA . 58.2 t -59.83 -40.9 83.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.676 179.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -71.29 -38.0 71.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.589 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -64.0 -44.18 93.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.514 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 38' ' ' THR . 91.7 t -65.31 -48.06 84.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.486 -179.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.687 HH11 ' N ' ' A' ' 69' ' ' ARG . 43.7 ttp180 -47.32 -43.5 22.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.54 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.47 -36.27 77.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.537 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -76.76 -50.34 13.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.503 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.546 ' O ' ' N ' ' A' ' 48' ' ' THR . 32.0 mt -80.57 -2.78 47.7 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.624 179.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 43' ' ' ARG . . . 40.57 22.29 0.05 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.929 -0.868 . . . . 1.0 110.929 177.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.546 ' N ' ' O ' ' A' ' 46' ' ' LEU . 1.2 m -73.54 138.23 44.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.814 0.34 . . . . 1.0 110.6 179.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.484 ' CG ' ' ND1' ' A' ' 170' ' ' HIS . 89.4 m-20 -52.72 -39.41 62.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.616 -177.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.534 ' NH1' ' OE2' ' A' ' 67' ' ' GLU . 51.8 ttm-85 -146.53 128.13 15.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 1.0 111.003 -177.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.0 p -145.52 140.76 22.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.906 -0.588 . . . . 1.0 109.849 177.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.403 ' NZ ' HAB2 ' A' ' 301' ' ' CYC . 20.6 pttm -146.28 164.66 31.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.001 0.429 . . . . 1.0 111.245 -177.019 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.5 p -105.99 137.42 36.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.687 -0.688 . . . . 1.0 109.88 178.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.499 ' HB2' HBB1 ' A' ' 301' ' ' CYC . 13.3 t80 -120.51 121.0 37.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.903 0.382 . . . . 1.0 111.236 -177.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.466 ' HG3' ' H ' ' A' ' 56' ' ' PHE . 4.8 tpt180 -95.32 163.53 13.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.002 -0.545 . . . . 1.0 109.865 179.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.466 ' H ' ' HG3' ' A' ' 55' ' ' ARG . 86.3 t80 -129.95 146.5 51.65 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.731 -0.388 . . . . 1.0 110.936 -178.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.478 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 9.2 t70 -117.14 133.11 23.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.29 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_exo -43.47 -30.47 2.54 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.781 2.321 . . . . 1.0 112.071 178.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -72.48 -11.35 60.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.436 -178.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 100.43 16.21 27.71 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.753 -0.939 . . . . 1.0 110.753 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.478 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 80.0 m-70 -112.93 138.6 49.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.839 0.352 . . . . 1.0 110.721 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.404 ' HA3' ' CZ ' ' A' ' 54' ' ' TYR . . . -132.57 154.15 20.95 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.656 -0.978 . . . . 1.0 110.656 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 82.8 p -138.91 159.14 42.84 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.947 -0.301 . . . . 1.0 110.783 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.578 HG23 ' H ' ' A' ' 79' ' ' GLY . 0.2 OUTLIER -100.73 110.93 28.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.17 175.789 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.429 HG11 ' OD1' ' A' ' 32' ' ' ASP . 23.9 m -95.18 3.28 9.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.798 -176.117 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.588 ' HB3' HG21 ' A' ' 39' ' ' VAL . . . -163.81 153.17 14.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.878 0.37 . . . . 1.0 110.952 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.534 ' OE2' ' NH1' ' A' ' 50' ' ' ARG . 58.9 tt0 -164.49 123.09 1.81 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.972 -0.558 . . . . 1.0 110.306 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -122.07 141.73 51.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.813 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.687 ' N ' HH11 ' A' ' 43' ' ' ARG . 0.0 OUTLIER -133.3 143.17 48.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.064 -0.517 . . . . 1.0 110.459 179.281 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -95.06 -81.45 1.55 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.884 -0.886 . . . . 1.0 110.884 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -79.23 0.1 81.1 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.802 -0.919 . . . . 1.0 110.802 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 55.86 56.7 5.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.8 0.333 . . . . 1.0 110.537 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.477 ' NH2' ' C ' ' A' ' 170' ' ' HIS . 18.0 ttp180 -79.25 -57.23 3.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.559 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.436 ' HB2' ' HE ' ' A' ' 50' ' ' ARG . 12.0 mt -90.78 167.19 16.85 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.497 178.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -79.0 171.28 16.66 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.761 2.307 . . . . 1.0 112.132 179.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 53.5 p -88.81 132.15 34.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.731 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.9 mt -108.15 -10.86 15.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.481 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.8 tp -41.94 136.7 2.0 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.534 -177.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.578 ' H ' HG23 ' A' ' 64' ' ' VAL . . . 92.03 -0.73 72.98 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 179.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.6 HD22 ' CZ ' ' A' ' 82' ' ' PHE . 4.5 tt -95.89 130.11 42.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.818 0.342 . . . . 1.0 110.563 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.501 ' O ' HG23 ' A' ' 81' ' ' THR . 10.0 t -95.96 124.8 40.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.588 178.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.6 ' CZ ' HD22 ' A' ' 80' ' ' LEU . 16.4 m-85 -98.83 141.82 23.55 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.544 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.13 139.38 18.96 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.812 2.341 . . . . 1.0 112.222 177.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -56.05 -32.94 64.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.672 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -48.94 -23.22 3.47 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.987 -0.845 . . . . 1.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.439 ' O ' ' ND ' ' A' ' 301' ' ' CYC . 86.5 m-20 -56.08 -32.7 64.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.806 0.336 . . . . 1.0 110.541 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 7.9 mt -133.39 97.75 15.87 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.474 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.509 ' HB2' ' H ' ' A' ' 89' ' ' GLU . 94.0 Cg_exo -39.74 -92.44 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.765 0 C-N-CA 122.776 2.317 . . . . 1.0 112.169 -179.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.509 ' H ' ' HB2' ' A' ' 88' ' ' PRO . 79.3 tt0 -174.61 -28.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.541 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 93' ' ' ARG . 16.2 pt-20 -64.08 -38.47 91.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.544 -178.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.615 ' HB2' HBD2 ' A' ' 301' ' ' CYC . . . -64.7 -33.51 76.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.568 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.479 HH21 HH22 ' A' ' 93' ' ' ARG . 61.5 ttp180 -69.87 -23.63 63.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.531 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.479 HH22 HH21 ' A' ' 92' ' ' ARG . 13.8 mmp_? -57.78 -56.83 16.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.454 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.645 ' O ' ' N ' ' A' ' 98' ' ' ALA . 9.4 mt -50.53 -41.27 53.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.503 179.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -63.07 -25.26 68.29 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.764 178.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.534 ' C ' HD12 ' A' ' 97' ' ' LEU . 58.0 mtp180 -90.24 -28.94 18.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.593 -178.514 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.534 HD12 ' C ' ' A' ' 96' ' ' ARG . 11.0 mp -106.76 -44.77 4.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.231 -177.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.645 ' N ' ' O ' ' A' ' 94' ' ' LEU . . . -87.43 -27.37 22.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.042 -0.526 . . . . 1.0 110.466 -176.662 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.467 ' C ' ' O ' ' A' ' 98' ' ' ALA . 89.2 mt-30 35.25 61.23 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.362 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.626 HG13 ' N ' ' A' ' 101' ' ' ARG . 8.7 p -115.42 -49.05 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.837 177.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.626 ' N ' HG13 ' A' ' 100' ' ' VAL . 0.1 OUTLIER 56.95 66.37 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.318 -0.401 . . . . 1.0 110.307 173.744 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.593 ' C ' HD12 ' A' ' 103' ' ' ILE . 67.2 t -144.51 124.39 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.575 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.753 HD12 ' N ' ' A' ' 103' ' ' ILE . 2.5 mp -109.52 131.73 59.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.727 178.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.444 HG22 ' H ' ' A' ' 104' ' ' VAL . 0.2 OUTLIER -84.72 172.5 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.257 -177.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 105' ' ' ASP . 0.5 OUTLIER -51.82 120.36 5.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.466 -178.329 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.8 m -58.05 -8.2 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.418 . . . . 1.0 110.558 178.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -81.27 -31.74 33.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.335 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -58.22 -13.11 4.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.381 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 49.88 57.67 6.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.719 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.6 t -94.12 138.8 31.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.38 175.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 79.9 mtm180 -122.41 135.97 54.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.869 -176.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.417 ' O ' ' CG ' ' A' ' 136' ' ' ASP . 0.7 OUTLIER -143.77 119.17 10.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.961 -0.563 . . . . 1.0 110.207 177.463 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.697 ' CG1' ' H ' ' A' ' 114' ' ' SER . 1.1 tt -122.63 -163.69 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.721 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.697 ' H ' ' CG1' ' A' ' 113' ' ' ILE . 29.3 t -76.41 173.8 11.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.713 -179.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -169.9 149.63 3.51 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.432 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 99.1 Cg_exo -36.68 99.68 0.03 OUTLIER 'Trans proline' 0 C--N 1.304 -1.778 0 C-N-CA 122.851 2.367 . . . . 1.0 112.185 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 118' ' ' SER . 42.4 tp10 -169.93 -36.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.62 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.403 ' O ' ' O ' ' A' ' 117' ' ' GLU . 73.5 m 47.17 -174.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.653 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 55.3 p-90 -63.7 129.18 39.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.624 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 155.38 -127.5 2.07 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.898 -0.881 . . . . 1.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 7.1 tp 45.52 50.34 10.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.823 0.344 . . . . 1.0 110.579 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 35.6 p -83.04 4.81 24.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.59 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -56.07 -38.76 71.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.568 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 65.63 52.33 1.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.568 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.533 ' O ' HG13 ' A' ' 125' ' ' VAL . 7.3 p -69.19 117.07 48.57 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.623 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -46.16 129.87 13.2 Favored 'Trans proline' 0 C--N 1.304 -1.814 0 C-N-CA 122.865 2.377 . . . . 1.0 112.091 179.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.434 ' HG ' ' H ' ' A' ' 129' ' ' GLU . 6.3 tp 40.33 -120.89 0.39 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.585 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 77.63 13.19 83.75 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.536 ' OE1' ' NH2' ' A' ' 133' ' ' ARG . 50.3 mm-40 -129.99 155.13 81.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 1.0 110.613 -179.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.435 ' HG2' HH21 ' A' ' 133' ' ' ARG . 10.4 Cg_endo -51.36 164.46 0.8 Allowed 'Trans proline' 0 C--N 1.304 -1.789 0 C-N-CA 122.915 2.41 . . . . 1.0 112.11 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 41.3 mt -72.65 -1.43 16.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.275 -0.421 . . . . 1.0 110.442 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -132.03 167.74 19.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.521 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.536 ' NH2' ' OE1' ' A' ' 129' ' ' GLU . 1.8 mmp_? -130.36 84.58 59.18 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.347 -0.388 . . . . 1.0 110.633 -178.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -50.02 146.39 17.2 Favored 'Trans proline' 0 C--N 1.304 -1.766 0 C-N-CA 122.76 2.307 . . . . 1.0 111.937 178.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.449 ' HB ' ' CD2' ' A' ' 139' ' ' HIS . 16.7 t -128.62 135.59 62.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.515 179.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.417 ' CG ' ' O ' ' A' ' 112' ' ' SER . 21.2 m-20 -44.13 155.86 0.33 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.405 -179.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.403 ' O ' ' HB ' ' A' ' 140' ' ' VAL . 52.8 Cg_exo -51.48 -11.21 0.63 Allowed 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.828 2.352 . . . . 1.0 111.915 178.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' CYS . . . . . 0.466 ' SG ' ' CHD' ' A' ' 301' ' ' CYC . 0.0 OUTLIER -56.27 -44.65 79.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.419 179.517 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.546 ' CD2' ' N ' ' A' ' 140' ' ' VAL . 0.1 OUTLIER -83.51 -23.6 32.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.296 -177.741 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.546 ' N ' ' CD2' ' A' ' 139' ' ' HIS . 4.8 t -50.18 -64.36 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.496 -179.425 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.415 ' N ' HG12 ' A' ' 140' ' ' VAL . 38.9 m-70 -63.76 -42.66 97.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.454 178.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -49.95 -55.32 14.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.452 178.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' LEU . . . . . 0.405 HD22 ' ND1' ' A' ' 139' ' ' HIS . 8.9 mp -64.88 -53.55 44.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.395 179.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -55.15 -41.33 71.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.465 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 46.8 t -54.02 -26.25 25.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.516 178.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' MET . . . . . . . . . . . . . 34.9 mtt -92.22 -1.88 56.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.442 177.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . 69.7 24.34 76.33 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.871 -0.892 . . . . 1.0 110.871 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 148' ' ' VAL . 2.9 m -112.22 120.18 61.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 1.0 110.62 179.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -91.45 -12.58 34.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.272 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 39.1 t -113.17 144.81 42.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.866 -0.606 . . . . 1.0 110.105 -179.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.17 97.22 2.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.873 0.368 . . . . 1.0 111.076 178.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 56.7 tp -98.96 134.25 42.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.034 -0.53 . . . . 1.0 109.99 178.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . 0.623 HG13 ' HB3' ' A' ' 101' ' ' ARG . 1.3 p -128.71 151.41 35.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.092 0.473 . . . . 1.0 111.211 -177.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' VAL . . . . . 0.412 ' CG2' ' C ' ' A' ' 153' ' ' VAL . 1.5 t -150.74 100.04 3.11 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.688 -0.687 . . . . 1.0 109.999 -179.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.23 151.08 33.77 Favored 'Trans proline' 0 C--N 1.305 -1.73 0 C-N-CA 122.966 2.444 . . . . 1.0 112.675 -173.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' LEU . . . . . . . . . . . . . 34.1 mt -118.28 95.36 4.85 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.862 -0.608 . . . . 1.0 110.181 178.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.422 ' O ' ' OG ' ' A' ' 192' ' ' SER . 21.5 ptm -111.81 135.31 52.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.723 -177.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' HIS . . . . . 0.475 ' O ' ' HB3' ' A' ' 159' ' ' HIS . 38.9 t60 -116.13 121.5 42.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.419 177.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' HIS . . . . . 0.683 ' CE1' HE21 ' A' ' 160' ' ' GLN . 15.4 t-80 77.2 -113.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.406 -177.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . 0.683 HE21 ' CE1' ' A' ' 159' ' ' HIS . 1.5 mp0 -121.58 6.63 10.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.396 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.509 ' N ' ' OE1' ' A' ' 161' ' ' GLU . 37.7 mp0 -117.77 161.55 19.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.526 -176.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' LEU . . . . . 0.535 HD12 ' N ' ' A' ' 162' ' ' LEU . 6.4 mp -106.58 126.01 51.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.442 177.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' TRP . . . . . 0.422 ' HE1' ' HB3' ' A' ' 158' ' ' HIS . 84.1 m95 -104.0 -40.13 6.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.919 -176.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -141.77 175.61 22.44 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.279 -0.728 . . . . 1.0 111.279 -177.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 5.2 tp -148.96 141.19 24.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.787 0.327 . . . . 1.0 110.381 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' LEU . . . . . 0.466 ' O ' HG23 ' A' ' 153' ' ' VAL . 8.2 tp -112.44 147.59 36.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.652 178.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' VAL . . . . . 0.679 HG11 ' OB ' ' A' ' 301' ' ' CYC . 69.2 t -151.89 136.6 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.722 -179.206 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.4 143.27 49.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.377 179.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -130.14 137.4 50.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.748 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' HIS . . . . . 0.742 ' CD2' ' N ' ' A' ' 171' ' ' ALA . 49.1 t60 -169.91 172.41 6.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.475 -178.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.742 ' N ' ' CD2' ' A' ' 170' ' ' HIS . . . -50.19 -157.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.544 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -44.94 144.71 1.84 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.644 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -84.79 -179.05 3.51 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.84 2.36 . . . . 1.0 112.047 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 71.5 mtt85 -150.55 148.69 24.37 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.44 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -62.27 139.15 76.03 Favored 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.739 2.293 . . . . 1.0 112.047 -179.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -105.48 123.15 47.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.646 -179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' SER . . . . . . . . . . . . . 50.5 m -65.18 146.15 55.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.533 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -63.36 -34.95 78.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.457 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -68.01 -41.87 81.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.516 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -78.78 -28.46 44.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.437 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' LEU . . . . . . . . . . . . . 21.5 tp -60.28 -50.18 74.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.36 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 182' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 183' ' ' VAL . 13.5 pt20 -60.92 -44.96 96.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.435 -179.033 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 183' ' ' VAL . . . . . 0.422 ' N ' ' HG3' ' A' ' 182' ' ' GLN . 53.4 t -44.44 -55.25 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.13 -0.487 . . . . 1.0 110.173 -179.284 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 184' ' ' VAL . . . . . . . . . . . . . 23.7 m -74.49 -34.91 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.199 -178.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -47.23 -40.13 15.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.025 178.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 79.5 mt -73.68 -34.08 64.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.02 -0.536 . . . . 1.0 110.047 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 187' ' ' LEU . . . . . . . . . . . . . 6.6 tt -56.62 -33.97 66.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.079 -0.509 . . . . 1.0 110.033 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 188' ' ' ALA . . . . . . . . . . . . . . . -73.79 -37.83 64.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 1.0 110.138 178.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -59.91 -38.38 82.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.184 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -55.19 -55.06 35.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.199 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 191' ' ' VAL . . . . . . . . . . . . . 38.9 t -55.15 -44.88 76.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.136 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 192' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 157' ' ' MET . 8.4 t -49.63 -34.1 17.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.076 179.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 193' ' ' ILE . . . . . . . . . . . . . 70.4 mt -81.71 -31.76 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.126 178.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 194' ' ' ALA . . . . . . . . . . . . . . . -68.53 -45.83 71.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.221 -179.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 195' ' ' ILE . . . . . . . . . . . . . 2.3 pp -68.42 -27.39 36.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.196 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.434 ' CB ' ' CE1' ' A' ' 158' ' ' HIS . . . -76.19 -57.59 3.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.357 178.53 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 197' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -57.49 -24.88 58.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.4 179.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 198' ' ' ALA . . . . . . . . . . . . . . . -75.11 -35.57 61.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.445 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 199' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -54.84 -39.33 68.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.467 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 200' ' ' LEU . . . . . . . . . . . . . 46.5 tp -59.76 -61.31 2.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.498 -179.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 83.6 p -60.33 -45.69 92.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.503 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 202' ' ' LEU . . . . . 0.421 HD22 HD13 ' A' ' 31' ' ' LEU . 12.8 tp . . . . . 0 C--O 1.221 -0.411 0 CA-C-O 117.946 -1.026 . . . . 1.0 110.496 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 301' ' ' CYC . . . . . 0.679 ' OB ' HG11 ' A' ' 167' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_